Methods of photoelectrode characterization with high spatial and temporal resolution

Esposito, Daniel V.; Baxter, Jason B.; John, Jimmy; Lewis, Nathan S.; Moffat, Thomas P.; Ogitsu, Tadashi; O'Neil, Glen D.; Pham, Tuan Anh; Talin, A. Alec; Velazquez, Jesus M.; Wood, Brandon C.

doi:10.1039/C5EE00835B

Title: Methods of photoelectrode characterization with high spatial and temporal resolution

Journal Article · Fri Jun 19 00:00:00 EDT 2015 · Energy & Environmental Science

DOI:https://doi.org/10.1039/C5EE00835B· OSTI ID:1325882

Esposito, Daniel V. ^[1]; Baxter, Jason B. ^[2]; John, Jimmy ^[3]; Lewis, Nathan S. ^[3]; Moffat, Thomas P. ^[4]; Ogitsu, Tadashi ^[5]; O'Neil, Glen D. ^[6]; Pham, Tuan Anh ^[5]; Talin, A. Alec ^[7]; Velazquez, Jesus M. ^[3]; Wood, Brandon C. ^[5]

Columbia Univ., New York, NY (United States); National Institute of Standards and Technology, Gaithersburg, MD (United States)
Drexel Univ., Philadelphia, PA (United States)
California Inst. of Technology (CalTech), Pasadena, CA (United States)
National Institute of Standards and Technology, Gaithersburg, MD (United States)
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Columbia Univ., New York, NY (United States)
Sandia National Lab. (SNL-CA), Livermore, CA (United States)

Here, materials and photoelectrode architectures that are highly efficient, extremely stable, and made from low cost materials are required for commercially viable photoelectrochemical (PEC) water-splitting technology. A key challenge is the heterogeneous nature of real-world materials, which often possess spatial variation in their crystal structure, morphology, and/or composition at the nano-, micro-, or macro-scale. Different structures and compositions can have vastly different properties and can therefore strongly influence the overall performance of the photoelectrode through complex structure–property relationships. A complete understanding of photoelectrode materials would also involve elucidation of processes such as carrier collection and electrochemical charge transfer that occur at very fast time scales. We present herein an overview of a broad suite of experimental and computational tools that can be used to define the structure–property relationships of photoelectrode materials at small dimensions and on fast time scales. A major focus is on in situ scanning-probe measurement (SPM) techniques that possess the ability to measure differences in optical, electronic, catalytic, and physical properties with nano- or micro-scale spatial resolution. In situ ultrafast spectroscopic techniques, used to probe carrier dynamics involved with processes such as carrier generation, recombination, and interfacial charge transport, are also discussed. Complementing all of these experimental techniques are computational atomistic modeling tools, which can be invaluable for interpreting experimental results, aiding in materials discovery, and interrogating PEC processes at length and time scales not currently accessible by experiment. In addition to reviewing the basic capabilities of these experimental and computational techniques, we highlight key opportunities and limitations of applying these tools for the development of PEC materials.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States); Energy Frontier Research Centers (EFRC) (United States). Nanostructures for Electrical Energy Storage (NEES)

Sponsoring Organization:: USDOE Advanced Research Projects Agency - Energy (ARPA-E); USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC52-07NA27344; SC0001160

OSTI ID:: 1325882

Report Number(s):: LLNL-JRNL-672059; EESNBY

Journal Information:: Energy & Environmental Science, Vol. 8, Issue 10; ISSN 1754-5692

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 42 works

Citation information provided by
Web of Science

References (285)

In Situ Surface-Enhanced Raman Spectroscopic Studies of CO Adsorption and Methanol Oxidation on Ru-Modified Pt Surfaces Yang, Hongzhou; Yang, Yuqing; Zou, Shouzhong The Journal of Physical Chemistry C, Vol. 111, Issue 51 https://doi.org/10.1021/jp075929l	journal	December 2007
Influence of Subsurface Defects on the Surface Reactivity of TiO ₂ : Water on Anatase (101) Aschauer, Ulrich; He, Yunbin; Cheng, Hongzhi The Journal of Physical Chemistry C, Vol. 114, Issue 2 https://doi.org/10.1021/jp910492b	journal	December 2009
Screening of transition and post-transition metals to incorporate into copper oxide and copper bismuth oxide for photoelectrochemical hydrogen evolution Berglund, Sean P.; Lee, Heung Chan; Núñez, Paul D. Physical Chemistry Chemical Physics, Vol. 15, Issue 13 https://doi.org/10.1039/c3cp50540e	journal	January 2013
Scanning Tunneling Spectroscopy in an Ionic Liquid Albrecht, Tim; Moth-Poulsen, Kasper; Christensen, Jørn B. Journal of the American Chemical Society, Vol. 128, Issue 20 https://doi.org/10.1021/ja061993p	journal	May 2006
Structures of water at electrified interfaces: Microscopic understanding of electrode potential in electric double layers on electrode surfaces Ito, M. Surface Science Reports, Vol. 63, Issue 8 https://doi.org/10.1016/j.surfrep.2008.04.002	journal	August 2008
Scanning electrochemical microscopy. 9. Theory and application of the feedback mode to the measurement of following chemical reaction rates in electrode processes Unwin, Patrick R.; Bard, Allen J. The Journal of Physical Chemistry, Vol. 95, Issue 20 https://doi.org/10.1021/j100173a049	journal	October 1991
Fluorescence Fluctuation Spectroscopy in Subdiffraction Focal Volumes Kastrup, Lars; Blom, Hans; Eggeling, Christian Physical Review Letters, Vol. 94, Issue 17 https://doi.org/10.1103/PhysRevLett.94.178104	journal	May 2005
Recent theoretical progress in the development of photoanode materials for solar water splitting photoelectrochemical cells Bhatt, Mahesh Datt; Lee, Jae Sung Journal of Materials Chemistry A, Vol. 3, Issue 20 https://doi.org/10.1039/C5TA00257E	journal	January 2015
A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples Purvis, George D.; Bartlett, Rodney J. The Journal of Chemical Physics, Vol. 76, Issue 4 https://doi.org/10.1063/1.443164	journal	February 1982
Trajectory Surface Hopping in the Time-Dependent Kohn-Sham Approach for Electron-Nuclear Dynamics Craig, Colleen F.; Duncan, Walter R.; Prezhdo, Oleg V. Physical Review Letters, Vol. 95, Issue 16 https://doi.org/10.1103/PhysRevLett.95.163001	journal	October 2005
Theoretical Studies of Structures and Vibrational Sum Frequency Generation Spectra at Aqueous Interfaces Ishiyama, Tatsuya; Imamura, Takako; Morita, Akihiro Chemical Reviews, Vol. 114, Issue 17 https://doi.org/10.1021/cr4004133	journal	January 2014
Near-Field Optics: Imaging Single Molecules Kopelman, R.; Tan, W. Science, Vol. 262, Issue 5138 https://doi.org/10.1126/science.262.5138.1382	journal	November 1993
In Situ High-Resolution Photoelectrochemical Imaging of Precursor Sites for Pitting in Polycrystalline Titanium Garfias-Mesias, L. F. Journal of The Electrochemical Society, Vol. 146, Issue 7 https://doi.org/10.1149/1.1391961	journal	January 1999
X-Ray Absorption Spectra of Water from First Principles Calculations Prendergast, David; Galli, Giulia Physical Review Letters, Vol. 96, Issue 21 https://doi.org/10.1103/PhysRevLett.96.215502	journal	May 2006
Combined Experimental and DFT-TDDFT Computational Study of Photoelectrochemical Cell Ruthenium Sensitizers Nazeeruddin, Mohammad K.; De Angelis, Filippo; Fantacci, Simona Journal of the American Chemical Society, Vol. 127, Issue 48 https://doi.org/10.1021/ja052467l	journal	December 2005
The effect of localized electric fields on the detection of dissolved sulfur species from Type 304 stainless steel using scanning electrochemical microscopy Lister, Tedd E.; Pinhero, Patrick J. Electrochimica Acta, Vol. 48, Issue 17 https://doi.org/10.1016/S0013-4686(03)00228-7	journal	July 2003
Direct Atomic Force Microscopic Determination of Surface Charge at the Gold/Electrolyte InterfaceThe Inadequacy of Classical GCS Theory in Describing the Double-Layer Charge Distribution Wang, Jian; Bard, Allen J. The Journal of Physical Chemistry B, Vol. 105, Issue 22 https://doi.org/10.1021/jp003687i	journal	June 2001
Nanoscale Resolution in the Focal Plane of an Optical Microscope Westphal, Volker; Hell, Stefan W. Physical Review Letters, Vol. 94, Issue 14 https://doi.org/10.1103/PhysRevLett.94.143903	journal	April 2005
An atomistic view of electrochemistry Kolb, D. M. Surface Science, Vol. 500, Issue 1-3 https://doi.org/10.1016/S0039-6028(01)01583-7	journal	March 2002
Direct Observation of the Valence Band Edge by in Situ ECSTM-ECTS in p-Type Cu ₂ O Layers Prepared by Copper Anodization Caballero-Briones, Felipe; Artés, Juan M.; Díez-Pérez, Ismael The Journal of Physical Chemistry C, Vol. 113, Issue 3 https://doi.org/10.1021/jp805915a	journal	December 2008
Hole Localization and Thermochemistry of Oxidative Dehydrogenation of Aqueous Rutile TiO2(110) Cheng, Jun; Sulpizi, Marialore; VandeVondele, Joost ChemCatChem, Vol. 4, Issue 5 https://doi.org/10.1002/cctc.201100498	journal	March 2012
Hydroxide Ions at the Water/Anatase TiO ₂ (101) Interface: Structure and Electronic States from First Principles Molecular Dynamics Cheng, Hongzhi; Selloni, Annabella Langmuir, Vol. 26, Issue 13 https://doi.org/10.1021/la100672f	journal	July 2010
Plasmon Enhanced Solar-to-Fuel Energy Conversion Thomann, Isabell; Pinaud, Blaise A.; Chen, Zhebo Nano Letters, Vol. 11, Issue 8 https://doi.org/10.1021/nl201908s	journal	August 2011
Singlet−Triplet Transitions in Real-Time Time-Dependent Hartree−Fock/Density Functional Theory Isborn, Christine M.; Li, Xiaosong Journal of Chemical Theory and Computation, Vol. 5, Issue 9 https://doi.org/10.1021/ct900264b	journal	August 2009
A climbing image nudged elastic band method for finding saddle points and minimum energy paths Henkelman, Graeme; Uberuaga, Blas P.; Jónsson, Hannes The Journal of Chemical Physics, Vol. 113, Issue 22, p. 9901-9904 https://doi.org/10.1063/1.1329672	journal	December 2000
Communication: Electronic structure of the solvated chloride anion from first principles molecular dynamics Zhang, Cui; Pham, Tuan Anh; Gygi, François The Journal of Chemical Physics, Vol. 138, Issue 18 https://doi.org/10.1063/1.4804621	journal	May 2013
Terahertz spectroscopy and imaging - Modern techniques and applications Jepsen, P. U.; Cooke, D. G.; Koch, M. Laser & Photonics Reviews, Vol. 5, Issue 1 https://doi.org/10.1002/lpor.201000011	journal	October 2010
Rapid Characterization of Oxygen-Evolving Electrocatalyst Spot Arrays by the Substrate Generation/Tip Collection Mode of Scanning Electrochemical Microscopy with Decreased O ₂ Diffusion Layer Overlap Minguzzi, Alessandro; Battistel, Dario; Rodríguez-López, Joaquin The Journal of Physical Chemistry C, Vol. 119, Issue 6 https://doi.org/10.1021/jp510651f	journal	January 2015
Rapid Screening by Scanning Electrochemical Microscopy (SECM) of Dopants for Bi ₂ WO ₆ Improved Photocatalytic Water Oxidation with Zn Doping Bhattacharya, Chinmoy; Lee, Heung Chan; Bard, Allen J. The Journal of Physical Chemistry C, Vol. 117, Issue 19 https://doi.org/10.1021/jp308629q	journal	May 2013
Quantum Mechanical Continuum Solvation Models Tomasi, Jacopo; Mennucci, Benedetta; Cammi, Roberto Chemical Reviews, Vol. 105, Issue 8 https://doi.org/10.1021/cr9904009	journal	August 2005
Non-innocent Dissociation of H ₂ O on GaP(110): Implications for Electrochemical Reduction of CO ₂ Muñoz-García, Ana B.; Carter, Emily A. Journal of the American Chemical Society, Vol. 134, Issue 33 https://doi.org/10.1021/ja3063106	journal	August 2012
Coupling of a scanning flow cell with online electrochemical mass spectrometry for screening of reaction selectivity Grote, Jan-Philipp; Zeradjanin, Aleksandar R.; Cherevko, Serhiy Review of Scientific Instruments, Vol. 85, Issue 10 https://doi.org/10.1063/1.4896755	journal	October 2014
Electrostatics of solvated systems in periodic boundary conditions Andreussi, Oliviero; Marzari, Nicola Physical Review B, Vol. 90, Issue 24 https://doi.org/10.1103/PhysRevB.90.245101	journal	December 2014
Batch Fabrication of Atomic Force Microscopy Probes with Recessed Integrated Ring Microelectrodes at a Wafer Level Shin, Heungjoo; Hesketh, Peter J.; Mizaikoff, Boris Analytical Chemistry, Vol. 79, Issue 13 https://doi.org/10.1021/ac070598u	journal	July 2007
Recent Advances in Tip-Enhanced Raman Spectroscopy Sonntag, Matthew D.; Pozzi, Eric A.; Jiang, Nan The Journal of Physical Chemistry Letters, Vol. 5, Issue 18 https://doi.org/10.1021/jz5015746	journal	August 2014
Fabrication and Investigation of Nanostructures on Transition Metal Dichalcogenide Surfaces Using a Scanning Tunneling Microscope Park, J. B.; Jaeckel, B.; Parkinson, B. A. Langmuir, Vol. 22, Issue 12 https://doi.org/10.1021/la053148a	journal	June 2006
Many-Body Perturbation Theory and Coupled Cluster Theory for Electron Correlation in Molecules Bartlett, R. J. Annual Review of Physical Chemistry, Vol. 32, Issue 1 https://doi.org/10.1146/annurev.pc.32.100181.002043	journal	October 1981
A new and sophisticated electrochemical scanning tunneling microscope design for the investigation of potentiodynamic processes Wilms, M.; Kruft, M.; Bermes, G. Review of Scientific Instruments, Vol. 70, Issue 9 https://doi.org/10.1063/1.1149971	journal	September 1999
The ionization potential of aqueous hydroxide computed using many-body perturbation theory Opalka, Daniel; Pham, Tuan Anh; Sprik, Michiel The Journal of Chemical Physics, Vol. 141, Issue 3 https://doi.org/10.1063/1.4887259	journal	July 2014
Scanning tunneling microscopy Hansma, Paul K.; Tersoff, Jerry Journal of Applied Physics, Vol. 61, Issue 2 https://doi.org/10.1063/1.338189	journal	January 1987
Back-illuminated Si photocathode: a combined experimental and theoretical study for photocatalytic hydrogen evolution Bae, Dowon; Pedersen, Thomas; Seger, Brian Energy & Environmental Science, Vol. 8, Issue 2 https://doi.org/10.1039/C4EE03723E	journal	January 2015
Hole transport in pure and doped hematite Liao, Peilin; Carter, Emily A. Journal of Applied Physics, Vol. 112, Issue 1 https://doi.org/10.1063/1.4730634	journal	July 2012
Aligning Electronic and Protonic Energy Levels of Proton-Coupled Electron Transfer in Water Oxidation on Aqueous TiO ₂ Cheng, Jun; Liu, Xiandong; Kattirtzi, John A. Angewandte Chemie, Vol. 126, Issue 45 https://doi.org/10.1002/ange.201405648	journal	July 2014
Realization of numerical aperture 2.0 using a gallium phosphide solid immersion lens Wu, Qiang; Feke, G. D.; Grober, Robert D. Applied Physics Letters, Vol. 75, Issue 26 https://doi.org/10.1063/1.125537	journal	December 1999
Theoretical Investigation of the Activity of Cobalt Oxides for the Electrochemical Oxidation of Water Bajdich, Michal; García-Mota, Mónica; Vojvodic, Aleksandra Journal of the American Chemical Society, Vol. 135, Issue 36 https://doi.org/10.1021/ja405997s	journal	August 2013
Plasmon Resonant Enhancement of Photocatalytic Water Splitting Under Visible Illumination Liu, Zuwei; Hou, Wenbo; Pavaskar, Prathamesh Nano Letters, Vol. 11, Issue 3 https://doi.org/10.1021/nl104005n	journal	March 2011
Kinetics of Film Formation in Acrylic Latices Studied with Multiple-Angle-of-Incidence Ellipsometry and Environmental SEM Keddie, J. L.; Meredith, P.; Jones, R. A. L. Macromolecules, Vol. 28, Issue 8 https://doi.org/10.1021/ma00112a012	journal	April 1995
Accelerating materials development for photoelectrochemical hydrogen production: Standards for methods, definitions, and reporting protocols Chen, Zhebo; Jaramillo, Thomas F.; Deutsch, Todd G. Journal of Materials Research, Vol. 25, Issue 1 https://doi.org/10.1557/JMR.2010.0020	journal	January 2010
Computational investigation of structural and electronic properties of aqueous interfaces of GaN, ZnO, and a GaN/ZnO alloy Kharche, Neerav; Hybertsen, Mark S.; Muckerman, James T. Phys. Chem. Chem. Phys., Vol. 16, Issue 24 https://doi.org/10.1039/C4CP00486H	journal	January 2014
Fabrication and Characterization of Probes for Combined Scanning Electrochemical/Optical Microscopy Experiments Lee, Youngmi; Bard, Allen J. Analytical Chemistry, Vol. 74, Issue 15 https://doi.org/10.1021/ac015705d	journal	August 2002
Defect and impurity diagnostics and process monitoring Warta, Wilhelm Solar Energy Materials and Solar Cells, Vol. 72, Issue 1-4 https://doi.org/10.1016/S0927-0248(01)00187-8	journal	April 2002
Kinetics of Electron-Transfer Reactions at Nanoelectrodes Sun, Peng; Mirkin, Michael V. Analytical Chemistry, Vol. 78, Issue 18 https://doi.org/10.1021/ac060924q	journal	September 2006
Interface Water on TiO ₂ Anatase (101) and (001) Surfaces: First-Principles Study with TiO ₂ Slabs Dipped in Bulk Water Sumita, Masato; Hu, Chunping; Tateyama, Yoshitaka The Journal of Physical Chemistry C, Vol. 114, Issue 43 https://doi.org/10.1021/jp105364z	journal	October 2010
The calculations of excited-state properties with Time-Dependent Density Functional Theory Adamo, Carlo; Jacquemin, Denis Chem. Soc. Rev., Vol. 42, Issue 3 https://doi.org/10.1039/C2CS35394F	journal	January 2013
Surface Chemistry of GaP(001) and InP(001) in Contact with Water Wood, Brandon C.; Schwegler, Eric; Choi, Woon Ih The Journal of Physical Chemistry C, Vol. 118, Issue 2 https://doi.org/10.1021/jp4098843	journal	December 2013
Understanding Scanning Tunneling Microscopy Contrast Mechanisms on Metal Oxides: A Case Study Mönig, Harry; Todorović, Milica; Baykara, Mehmet Z. ACS Nano, Vol. 7, Issue 11 https://doi.org/10.1021/nn4045358	journal	October 2013
Exploratory Spectroscopic Imaging at Localized Corrosion Sites Guillaume, Francis; Evju, Jon; Knutson, Trevor L. Journal of The Electrochemical Society, Vol. 150, Issue 6 https://doi.org/10.1149/1.1570821	journal	January 2003
Measuring Electrocatalytic Activity on a Local Scale with Scanning Differential Electrochemical Mass Spectrometry Jambunathan, K.; Hillier, A. C. Journal of The Electrochemical Society, Vol. 150, Issue 6 https://doi.org/10.1149/1.1570823	journal	January 2003
H2 evolution at Si-based metal–insulator–semiconductor photoelectrodes enhanced by inversion channel charge collection and H spillover Esposito, Daniel V.; Levin, Igor; Moffat, Thomas P. Nature Materials, Vol. 12, Issue 6 https://doi.org/10.1038/nmat3626	journal	May 2013
Probing Potential-Tuned Resonant Tunneling through Redox Molecules with Scanning Tunneling Microscopy Tao, N. J. Physical Review Letters, Vol. 76, Issue 21 https://doi.org/10.1103/PhysRevLett.76.4066	journal	May 1996
Micromorphology changes of silicon oxide on Si(111) during current oscillations: a comparative in situ AFM and FTIR study Nast, Oliver; Rauscher, Stefan; Jungblut, Helmut Journal of Electroanalytical Chemistry, Vol. 442, Issue 1-2 https://doi.org/10.1016/S0022-0728(97)00476-2	journal	January 1998
Mechanistic studies of light-induced charge separation at semiconductor/liquid interfaces Lewis, Nathan S. Accounts of Chemical Research, Vol. 23, Issue 6 https://doi.org/10.1021/ar00174a002	journal	June 1990
Scanning electrochemical microscopy in the 21st century. Update 1: five years after Mirkin, Michael V.; Nogala, Wojciech; Velmurugan, Jeyavel Physical Chemistry Chemical Physics, Vol. 13, Issue 48 https://doi.org/10.1039/c1cp22376c	journal	January 2011
Scanning Electrochemical Microscopy Amemiya, Shigeru; Bard, Allen J.; Fan, Fu-Ren F. Annual Review of Analytical Chemistry, Vol. 1, Issue 1 https://doi.org/10.1146/annurev.anchem.1.031207.112938	journal	July 2008
Theoretical approaches to x-ray absorption fine structure Rehr, J. J.; Albers, R. C. Reviews of Modern Physics, Vol. 72, Issue 3 https://doi.org/10.1103/RevModPhys.72.621	journal	July 2000
Electronic excitations in light absorbers for photoelectrochemical energy conversion: first principles calculations based on many body perturbation theory Ping, Yuan; Rocca, Dario; Galli, Giulia Chemical Society Reviews, Vol. 42, Issue 6 https://doi.org/10.1039/c3cs00007a	journal	January 2013
Joint density functional theory of the electrode-electrolyte interface: Application to fixed electrode potentials, interfacial capacitances, and potentials of zero charge Letchworth-Weaver, Kendra; Arias, T. A. Physical Review B, Vol. 86, Issue 7 https://doi.org/10.1103/PhysRevB.86.075140	journal	August 2012
Large Scale GW Calculations Govoni, Marco; Galli, Giulia Journal of Chemical Theory and Computation, Vol. 11, Issue 6 https://doi.org/10.1021/ct500958p	journal	May 2015
Identifying Trapped Electronic Holes at the Aqueous TiO ₂ Interface Cheng, Jun; VandeVondele, Joost; Sprik, Michiel The Journal of Physical Chemistry C, Vol. 118, Issue 10 https://doi.org/10.1021/jp500769q	journal	March 2014
Polarization- and Azimuth-Resolved Infrared Spectroscopy of Water on TiO ₂ (110): Anisotropy and the Hydrogen-Bonding Network Kimmel, Greg A.; Baer, Marcel; Petrik, Nikolay G. The Journal of Physical Chemistry Letters, Vol. 3, Issue 6 https://doi.org/10.1021/jz3001079	journal	March 2012
Time-Dependent Density Functional Theory Marques, M. A. L.; Gross, E. K. U. Annual Review of Physical Chemistry, Vol. 55, Issue 1 https://doi.org/10.1146/annurev.physchem.55.091602.094449	journal	June 2004
The geometry of nanometer-sized electrodes and its influence on electrolytic currents and metal deposition processes in scanning tunneling and scanning electrochemical microscopy Sklyar, Oleg; Treutler, Thomas H.; Vlachopoulos, Nikolaos Surface Science, Vol. 597, Issue 1-3 https://doi.org/10.1016/j.susc.2004.02.041	journal	December 2005
Heterogeneous photocatalyst materials for water splitting Kudo, Akihiko; Miseki, Yugo Chem. Soc. Rev., Vol. 38, Issue 1 https://doi.org/10.1039/B800489G	journal	January 2009
Electron transfer/ion transfer mode of scanning electrochemical microscopy (SECM): a new tool for imaging and kinetic studies Wang, Yixian; Kececi, Kaan; Velmurugan, Jeyavel Chemical Science, Vol. 4, Issue 9 https://doi.org/10.1039/c3sc50825k	journal	January 2013
Near-Field Optics: Microscopy, Spectroscopy, and Surface Modification Beyond the Diffraction Limit Betzig, E.; Trautman, J. K. Science, Vol. 257, Issue 5067 https://doi.org/10.1126/science.257.5067.189	journal	July 1992
Alumina(0001)/Water Interface: Structural Properties and Infrared Spectra from First-Principles Molecular Dynamics Simulations Huang, Patrick; Pham, Tuan Anh; Galli, Giulia The Journal of Physical Chemistry C, Vol. 118, Issue 17 https://doi.org/10.1021/jp4123002	journal	April 2014
ReaxFF Reactive Force Field Study of the Dissociation of Water on Titania Surfaces Raju, Muralikrishna; Kim, Sung-Yup; van Duin, Adri C. T. The Journal of Physical Chemistry C, Vol. 117, Issue 20 https://doi.org/10.1021/jp402139h	journal	May 2013
Site-Dependent Free Energy Barrier for Proton Reduction on MoS ₂ Edges Choi, Woon Ih; Wood, Brandon C.; Schwegler, Eric The Journal of Physical Chemistry C, Vol. 117, Issue 42 https://doi.org/10.1021/jp405354u	journal	October 2013
Scanning probe microscopes go video rate and beyond Rost, M. J.; Crama, L.; Schakel, P. Review of Scientific Instruments, Vol. 76, Issue 5 https://doi.org/10.1063/1.1915288	journal	May 2005
Scanning Photocurrent Microscopy in Semiconductor Nanostructures Graham, Rion; Yu, Dong Modern Physics Letters B, Vol. 27, Issue 25 https://doi.org/10.1142/S0217984913300184	journal	September 2013
Quantitative Analysis and Application of Tip Position Modulation-Scanning Electrochemical Microscopy Edwards, Martin A.; Whitworth, Anna L.; Unwin, Patrick R. Analytical Chemistry, Vol. 83, Issue 6 https://doi.org/10.1021/ac102680v	journal	March 2011
The high-throughput highway to computational materials design Curtarolo, Stefano; Hart, Gus L. W.; Nardelli, Marco Buongiorno Nature Materials, Vol. 12, Issue 3 https://doi.org/10.1038/nmat3568	journal	February 2013
Band gap engineering via doping: A predictive approach Andriotis, Antonis N.; Menon, Madhu Journal of Applied Physics, Vol. 117, Issue 12 https://doi.org/10.1063/1.4916252	journal	March 2015
Interfacial band-edge energetics for solar fuels production Smith, Wilson A.; Sharp, Ian D.; Strandwitz, Nicholas C. Energy & Environmental Science, Vol. 8, Issue 10 https://doi.org/10.1039/C5EE01822F	journal	January 2015
First-Principles Calculations of Hydrogen Generation Due to Water Splitting on Polar GaN Surfaces Chen, Po-Tuan; Sun, Chia-Liang; Hayashi, Michitoshi The Journal of Physical Chemistry C, Vol. 114, Issue 42 https://doi.org/10.1021/jp106687v	journal	September 2010
Electronic excitations: density-functional versus many-body Green’s-function approaches Onida, Giovanni; Reining, Lucia; Rubio, Angel Reviews of Modern Physics, Vol. 74, Issue 2 https://doi.org/10.1103/RevModPhys.74.601	journal	June 2002
Interfacial Effects on the Band Edges of Functionalized Si Surfaces in Liquid Water Pham, Tuan Anh; Lee, Donghwa; Schwegler, Eric Journal of the American Chemical Society, Vol. 136, Issue 49 https://doi.org/10.1021/ja5079865	journal	November 2014
Solar Water Splitting Cells Walter, Michael G.; Warren, Emily L.; McKone, James R. Chemical Reviews, Vol. 110, Issue 11, p. 6446-6473 https://doi.org/10.1021/cr1002326	journal	November 2010
Computational Modeling of Octahedral Iron Oxide Clusters: Hexaaquairon(III) and Its Dimers Yang, Yang; Ratner, Mark A.; Schatz, George C. The Journal of Physical Chemistry C, Vol. 117, Issue 42 https://doi.org/10.1021/jp408066h	journal	October 2013
Advances in atomic force microscopy Giessibl, Franz J. Reviews of Modern Physics, Vol. 75, Issue 3 https://doi.org/10.1103/RevModPhys.75.949	journal	July 2003
Sum-frequency generation spectroscopy of interfaces Vidal, Franck; Tadjeddine, Abderrahmane Reports on Progress in Physics, Vol. 68, Issue 5 https://doi.org/10.1088/0034-4885/68/5/R03	journal	March 2005
Influence of electrode size and geometry on electrochemical experiments with combined SECM–SFM probes Pust, Sascha E.; Salomo, Marc; Oesterschulze, Egbert Nanotechnology, Vol. 21, Issue 10 https://doi.org/10.1088/0957-4484/21/10/105709	journal	February 2010
Modeling, simulation, and design criteria for photoelectrochemical water-splitting systems Haussener, Sophia; Xiang, Chengxiang; Spurgeon, Joshua M. Energy & Environmental Science, Vol. 5, Issue 12 https://doi.org/10.1039/c2ee23187e	journal	January 2012
Analysis of Products at Reaction Sites by Fluorescence Microspectroscopy Using the f-NSOM Technique Lee, Woo-Jin; Guillaume, Francis; Knutson, Trevor L. Journal of The Electrochemical Society, Vol. 152, Issue 3 https://doi.org/10.1149/1.1859816	journal	January 2005
Coupled-cluster theory in quantum chemistry Bartlett, Rodney J.; Musiał, Monika Reviews of Modern Physics, Vol. 79, Issue 1 https://doi.org/10.1103/RevModPhys.79.291	journal	February 2007
Emerging techniques for the in situ analysis of reaction intermediates on photo-electrochemical interfaces Simpson, B. H.; Rodríguez-López, J. Analytical Methods, Vol. 7, Issue 17 https://doi.org/10.1039/C5AY00503E	journal	January 2015
Joint Density-Functional Theory: Ab Initio Study of Cr ₂ O ₃ Surface Chemistry in Solution Petrosyan, S. A.; Rigos, A. A.; Arias, T. A. The Journal of Physical Chemistry B, Vol. 109, Issue 32 https://doi.org/10.1021/jp044822k	journal	August 2005
Improvement of Hematite as Photocatalyst by Doping with Tantalum Zhang, Xinsheng; Li, Huicheng; Wang, Shijun The Journal of Physical Chemistry C, Vol. 118, Issue 30 https://doi.org/10.1021/jp500395a	journal	April 2014
First-principles calculations of charged surfaces and interfaces: A plane-wave nonrepeated slab approach Otani, M.; Sugino, O. Physical Review B, Vol. 73, Issue 11 https://doi.org/10.1103/PhysRevB.73.115407	journal	March 2006
An exchangeable-tip scanning probe instrument for the analysis of combinatorial libraries of electrocatalysts Rus, Eric D.; Wang, Hongsen; Legard, Anna E. Review of Scientific Instruments, Vol. 84, Issue 2 https://doi.org/10.1063/1.4776199	journal	February 2013
Highlights in Coupled Electrochemical Flow Cell-Mass Spectrometry, EC/MS Gun, Jenny; Bharathi, Subramanian; Gutkin, Vitaly Israel Journal of Chemistry, Vol. 50, Issue 3 https://doi.org/10.1002/ijch.201000035	journal	September 2010
Plasma-Deposited Fluorocarbon Films: Insulation Material for Microelectrodes and Combined Atomic Force Microscopy−Scanning Electrochemical Microscopy Probes Wiedemair, Justyna; Balu, Balamurali; Moon, Jong-Seok Analytical Chemistry, Vol. 80, Issue 13 https://doi.org/10.1021/ac800246q	journal	July 2008
Initial Stages of Structure Formation on Silicon Electrodes Investigated by Photoelectron Spectroscopy Using Synchrotron Radiation and In Situ Atomic Force Microscopy Lewerenz, H. J.; Aggour, M.; Murrell, C. Journal of The Electrochemical Society, Vol. 150, Issue 3 https://doi.org/10.1149/1.1542900	journal	January 2003
A Novel Approach to Combine Scanning Electrochemical Microscopy and Scanning Photoelectrochemical Microscopy Casillas, Norberto Journal of The Electrochemical Society, Vol. 142, Issue 1 https://doi.org/10.1149/1.2043970	journal	January 1995
A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach Roos, Björn O.; Taylor, Peter R.; Sigbahn, Per E. M. Chemical Physics, Vol. 48, Issue 2 https://doi.org/10.1016/0301-0104(80)80045-0	journal	May 1980
Acidity of the Aqueous Rutile TiO ₂ (110) Surface from Density Functional Theory Based Molecular Dynamics Cheng, Jun; Sprik, Michiel Journal of Chemical Theory and Computation, Vol. 6, Issue 3 https://doi.org/10.1021/ct100013q	journal	February 2010
Combinatorial Electrochemistry: A Highly Parallel, Optical Screening Method for Discovery of Better Electrocatalysts Reddington, E. Science, Vol. 280, Issue 5370 https://doi.org/10.1126/science.280.5370.1735	journal	June 1998
Alumina-coated Ag nanocrystal monolayers as surfaceenhanced Raman spectroscopy platforms for the direct spectroscopic detection of water splitting reaction intermediates Ling, Xing Yi; Yan, Ruoxue; Lo, Sylvia Nano Research, Vol. 7, Issue 1 https://doi.org/10.1007/s12274-013-0380-0	journal	December 2013
The Origin of Slow Carrier Transport in BiVO ₄ Thin Film Photoanodes: A Time-Resolved Microwave Conductivity Study Abdi, Fatwa F.; Savenije, Tom J.; May, Matthias M. The Journal of Physical Chemistry Letters, Vol. 4, Issue 16 https://doi.org/10.1021/jz4013257	journal	July 2013
Model for the electrocatalysis of hydrogen evolution Santos, E.; Lundin, A.; Pötting, K. Physical Review B, Vol. 79, Issue 23 https://doi.org/10.1103/PhysRevB.79.235436	journal	June 2009
Development of a ReaxFF Reactive Force Field for Titanium Dioxide/Water Systems Kim, Sung-Yup; Kumar, Nitin; Persson, Petter Langmuir, Vol. 29, Issue 25 https://doi.org/10.1021/la4006983	journal	June 2013
Nanoscale Imaging of Photocurrent and Efficiency in CdTe Solar Cells Leite, Marina S.; Abashin, Maxim; Lezec, Henri J. ACS Nano, Vol. 8, Issue 11 https://doi.org/10.1021/nn5052585	journal	October 2014
Water Dissociation at the GaN(101̅0) Surface: Structure, Dynamics and Surface Acidity Wang, Jue; Pedroza, Luana S.; Poissier, Adrien The Journal of Physical Chemistry C, Vol. 116, Issue 27 https://doi.org/10.1021/jp302793s	journal	June 2012
Preparation of a Gold-Sputtered Optical Fiber as a Microelectrode for Electrochemical Microscopy Shi, Guangda Journal of The Electrochemical Society, Vol. 145, Issue 6 https://doi.org/10.1149/1.1838591	journal	January 1998
Photocatalytic Water Oxidation at the GaN (101̅0)−Water Interface Shen, Xiao; Small, Yolanda A.; Wang, Jue The Journal of Physical Chemistry C, Vol. 114, Issue 32 https://doi.org/10.1021/jp102958s	journal	July 2010
Photoelectrochemical and in situ atomic force microscopy studies of films derived from o-methoxyaniline solution on gallium arsenide (100) photoelectrode Wierzbiński, Emil; Szklarczyk, Marek Thin Solid Films, Vol. 424, Issue 2 https://doi.org/10.1016/S0040-6090(02)01122-7	journal	January 2003
The importance of nonlinear fluid response in joint density-functional theory studies of battery systems Gunceler, Deniz; Letchworth-Weaver, Kendra; Sundararaman, Ravishankar Modelling and Simulation in Materials Science and Engineering, Vol. 21, Issue 7 https://doi.org/10.1088/0965-0393/21/7/074005	journal	October 2013
Biomarker discovery in lung cancer—promises and challenges of clinical proteomics Bharti, Ajit; Ma, Patrick C.; Salgia, Ravi Mass Spectrometry Reviews, Vol. 26, Issue 3 https://doi.org/10.1002/mas.20125	journal	January 2007
Renewable hydrogen production Turner, John; Sverdrup, George; Mann, Margaret K. International Journal of Energy Research, Vol. 32, Issue 5 https://doi.org/10.1002/er.1372	journal	January 2008
Second-order perturbation theory with a CASSCF reference function Andersson, Kerstin.; Malmqvist, Per Aake.; Roos, Bjoern O. The Journal of Physical Chemistry, Vol. 94, Issue 14 https://doi.org/10.1021/j100377a012	journal	July 1990
Nanosphere Lithography: Tunable Localized Surface Plasmon Resonance Spectra of Silver Nanoparticles Jensen, Traci R.; Malinsky, Michelle Duval; Haynes, Christy L. The Journal of Physical Chemistry B, Vol. 104, Issue 45, p. 10549-10556 https://doi.org/10.1021/jp002435e	journal	November 2000
Multireference Ab Initio Study of Ligand Field d–d Transitions in Octahedral Transition-Metal Oxide Clusters Yang, Yang; Ratner, Mark A.; Schatz, George C. The Journal of Physical Chemistry C, Vol. 118, Issue 50 https://doi.org/10.1021/jp5052672	journal	July 2014
Direct Photocurrent Mapping of Organic Solar Cells Using a Near-Field Scanning Optical Microscope McNeill, Christopher R.; Frohne, Holger; Holdsworth, John L. Nano Letters, Vol. 4, Issue 2 https://doi.org/10.1021/nl0349496	journal	February 2004
Compositional Screening of the Pb–Bi–Mo–O System. Spontaneous Formation of a Composite of p -PbMoO ₄ and n -Bi ₂ O ₃ with Improved Photoelectrochemical Efficiency and Stability Nam, Ki Min; Park, Hyun S.; Lee, Heung Chan The Journal of Physical Chemistry Letters, Vol. 4, Issue 16 https://doi.org/10.1021/jz401334k	journal	July 2013
Redox Titrations via Surface Interrogation Scanning Electrochemical Microscopy at an Extended Semiconducting Surface for the Quantification of Photogenerated Adsorbed Intermediates Simpson, Burton H.; Rodríguez-López, Joaquín Electrochimica Acta, Vol. 179 https://doi.org/10.1016/j.electacta.2015.04.128	journal	October 2015
<italic>Ab initio</italic> modeling of water–semiconductor interfaces for photocatalytic water splitting: role of surface oxygen and hydroxyl Wood, Brandon C. Journal of Photonics for Energy, Vol. 1, Issue 1 https://doi.org/10.1117/1.3625563	journal	January 2011
A model for the effective barrier height observed with a scanning tunneling microscope Pecina, O.; Schmickler, W.; Chan, K. Y. Journal of Electroanalytical Chemistry, Vol. 396, Issue 1-2 https://doi.org/10.1016/0022-0728(95)03853-9	journal	October 1995
Scanning electrochemical microscopy. 21. Constant-current imaging with an autoswitching controller Wipf, David O.; Bard, Allen J.; Tallman, Dennis E. Analytical Chemistry, Vol. 65, Issue 10 https://doi.org/10.1021/ac00058a013	journal	May 1993
Escaping free-energy minima Laio, A.; Parrinello, M. Proceedings of the National Academy of Sciences, Vol. 99, Issue 20 https://doi.org/10.1073/pnas.202427399	journal	September 2002
Alignment of electronic energy levels at electrochemical interfaces Cheng, Jun; Sprik, Michiel Physical Chemistry Chemical Physics, Vol. 14, Issue 32 https://doi.org/10.1039/c2cp41652b	journal	January 2012
Scanning electron microscopy of cells and tissues under fully hydrated conditions Thiberge, S.; Nechushtan, A.; Sprinzak, D. Proceedings of the National Academy of Sciences, Vol. 101, Issue 10 https://doi.org/10.1073/pnas.0400088101	journal	February 2004
Constant-distance mode AC-SECM for the visualisation of corrosion pits Eckhard, Kathrin; Etienne, Mathieu; Schulte, Albert Electrochemistry Communications, Vol. 9, Issue 7 https://doi.org/10.1016/j.elecom.2007.03.035	journal	July 2007
Combinatorial Investigation of the Effects of the Incorporation of Ti, Si, and Al on the Performance of α-Fe ₂ O ₃ Photoanodes He, Jianghua; Parkinson, B. A. ACS Combinatorial Science, Vol. 13, Issue 4 https://doi.org/10.1021/co200024p	journal	June 2011
In situ probe of photocarrier dynamics in water-splitting hematite (α-Fe2O3) electrodes Huang, Zhuangqun; Lin, Yongjing; Xiang, Xu Energy & Environmental Science, Vol. 5, Issue 10 https://doi.org/10.1039/c2ee22681b	journal	January 2012
Scanning Probe Microscopic Characterization of Surface-Modified n -TiO ₂ Single-Crystal Electrodes Miki, Takeshi; Yanagi, Hisao Langmuir, Vol. 14, Issue 12 https://doi.org/10.1021/la971099z	journal	June 1998
Photoelectrochemical cells Grätzel, Michael Nature, Vol. 414, Issue 6861 https://doi.org/10.1038/35104607	journal	November 2001
Methanol and Water Dissociation on TiO ₂ (110): The Role of Surface Oxygen Oviedo, Jaime; Sánchez-de-Armas, Rocío; San Miguel, Miguel Ángel The Journal of Physical Chemistry C, Vol. 112, Issue 46 https://doi.org/10.1021/jp805759y	journal	October 2008
Progress in new semiconductor materials classes for solar photoelectrolysis Miller, E. L.; Gaillard, N.; Kaneshiro, J. International Journal of Energy Research, Vol. 34, Issue 14 https://doi.org/10.1002/er.1660	journal	January 2010
Electrochemical Photolysis of Water at a Semiconductor Electrode Fujishima, Akira; Honda, Kenichi Nature, Vol. 238, Issue 5358, p. 37-38 https://doi.org/10.1038/238037a0	journal	July 1972
Kinetic Monte Carlo model of charge transport in hematite (α-Fe2O3) Kerisit, Sebastien; Rosso, Kevin M. The Journal of Chemical Physics, Vol. 127, Issue 12 https://doi.org/10.1063/1.2768522	journal	September 2007
Computational high-throughput screening of electrocatalytic materials for hydrogen evolution Greeley, Jeff; Jaramillo, Thomas F.; Bonde, Jacob Nature Materials, Vol. 5, Issue 11, p. 909-913 https://doi.org/10.1038/nmat1752	journal	October 2006
Advances in Correlated Electronic Structure Methods for Solids, Surfaces, and Nanostructures Huang, Patrick; Carter, Emily A. Annual Review of Physical Chemistry, Vol. 59, Issue 1 https://doi.org/10.1146/annurev.physchem.59.032607.093528	journal	May 2008
Scanning Electrochemical Microscopy: Surface Interrogation of Adsorbed Hydrogen and the Open Circuit Catalytic Decomposition of Formic Acid at Platinum Rodríguez-López, Joaquín; Bard, Allen J. Journal of the American Chemical Society, Vol. 132, Issue 14 https://doi.org/10.1021/ja9090319	journal	April 2010
Optical virtual imaging at 50 nm lateral resolution with a white-light nanoscope Wang, Zengbo; Guo, Wei; Li, Lin Nature Communications, Vol. 2, Issue 1 https://doi.org/10.1038/ncomms1211	journal	March 2011
Combination of an electrochemical tunneling microscope (ECSTM) and a scanning electrochemical microscope (SECM): application for tip-induced modification of self-assembled monolayers Treutler, Thomas H.; Wittstock, Gunther Electrochimica Acta, Vol. 48, Issue 20-22 https://doi.org/10.1016/S0013-4686(03)00357-8	journal	September 2003
Self-consistent continuum solvation (SCCS): The case of charged systems Dupont, C.; Andreussi, O.; Marzari, N. The Journal of Chemical Physics, Vol. 139, Issue 21 https://doi.org/10.1063/1.4832475	journal	December 2013
Aligning electronic energy levels at the ${TiO}_{2} / H_{2} O$ interface Cheng, Jun; Sprik, Michiel Physical Review B, Vol. 82, Issue 8 https://doi.org/10.1103/PhysRevB.82.081406	journal	August 2010
Rapid Screening of BiVO ₄ -Based Photocatalysts by Scanning Electrochemical Microscopy (SECM) and Studies of Their Photoelectrochemical Properties Ye, Heechang; Lee, Joowook; Jang, Jum Suk The Journal of Physical Chemistry C, Vol. 114, Issue 31 https://doi.org/10.1021/jp104343b	journal	July 2010
Tunneling behavior of electrified interfaces Simeone, Felice C.; Kolb, Dieter M.; Venkatachalam, Sudha Surface Science, Vol. 602, Issue 7 https://doi.org/10.1016/j.susc.2008.01.034	journal	April 2008
New concepts and modeling strategies to design and evaluate photo-electro-catalysts based on transition metal oxides Liao, Peilin; Carter, Emily A. Chem. Soc. Rev., Vol. 42, Issue 6 https://doi.org/10.1039/C2CS35267B	journal	January 2013
Electron Small Polarons and Their Mobility in Iron (Oxyhydr)oxide Nanoparticles Katz, J. E.; Zhang, X.; Attenkofer, K. Science, Vol. 337, Issue 6099 https://doi.org/10.1126/science.1223598	journal	September 2012
Titania-water interactions: a review of theoretical studies Sun, Chenghua; Liu, Li-Min; Selloni, Annabella Journal of Materials Chemistry, Vol. 20, Issue 46 https://doi.org/10.1039/c0jm01491e	journal	January 2010
Ultrafast Carrier Dynamics in Nanostructures for Solar Fuels Baxter, Jason B.; Richter, Christiaan; Schmuttenmaer, Charles A. Annual Review of Physical Chemistry, Vol. 65, Issue 1 https://doi.org/10.1146/annurev-physchem-040513-103742	journal	April 2014
Fabrication and Characterization of Dual Function Nanoscale pH-Scanning Ion Conductance Microscopy (SICM) Probes for High Resolution pH Mapping Nadappuram, Binoy Paulose; McKelvey, Kim; Al Botros, Rehab Analytical Chemistry, Vol. 85, Issue 17 https://doi.org/10.1021/ac401883n	journal	August 2013
Conductance Maps by Electrochemical Tunneling Spectroscopy To Fingerprint the Electrode Electronic Structure Díez-Pérez, Ismael; Güell, Aleix G.; Sanz, Fausto Analytical Chemistry, Vol. 78, Issue 20 https://doi.org/10.1021/ac0603330	journal	October 2006
Parameter-free calculations of X-ray spectra with FEFF9 Rehr, John J.; Kas, Joshua J.; Vila, Fernando D. Physical Chemistry Chemical Physics, Vol. 12, Issue 21 https://doi.org/10.1039/b926434e	journal	January 2010
Hole Transport in Nonstoichiometric and Doped Wüstite Toroker, Maytal Caspary; Carter, Emily A. The Journal of Physical Chemistry C, Vol. 116, Issue 33 https://doi.org/10.1021/jp3047664	journal	August 2012
Scanning electrochemical microscopy. 16. Study of second-order homogeneous chemical reactions via the feedback and generation/collection modes Zhou, Feimeng; Unwin, Patrick R.; Bard, Allen J. The Journal of Physical Chemistry, Vol. 96, Issue 12 https://doi.org/10.1021/j100191a036	journal	June 1992
Structure and energy level alignment at the dye–electrode interface in p-type DSSCs: new hints on the role of anchoring modes from ab initio calculations Muñoz-García, Ana B.; Pavone, Michele Physical Chemistry Chemical Physics, Vol. 17, Issue 18 https://doi.org/10.1039/C5CP01020A	journal	January 2015
Mapping the Local Photoelectronic Properties of Polycrystalline Solar Cells Through High Resolution Laser-Beam-Induced Current Microscopy Leite, Marina S.; Abashin, Maxim; Lezec, Henri J. IEEE Journal of Photovoltaics, Vol. 4, Issue 1 https://doi.org/10.1109/JPHOTOV.2013.2284860	journal	January 2014
Scanning Electrochemical Microscopy with Simultaneous Independent Topography James, P. I. Journal of The Electrochemical Society, Vol. 145, Issue 4 https://doi.org/10.1149/1.1838417	journal	January 1998
Graphene oxide windows for in situ environmental cell photoelectron spectroscopy Kolmakov, Andrei; Dikin, Dmitriy A.; Cote, Laura J. Nature Nanotechnology, Vol. 6, Issue 10 https://doi.org/10.1038/nnano.2011.130	journal	August 2011
Hydrogen-Bond Dynamics of Water at the Interface with InP/GaP(001) and the Implications for Photoelectrochemistry Wood, Brandon C.; Schwegler, Eric; Choi, Woon Ih Journal of the American Chemical Society, Vol. 135, Issue 42 https://doi.org/10.1021/ja403850s	journal	October 2013
Screening of Photocatalysts by Scanning Electrochemical Microscopy Lee, Joowook; Ye, Heechang; Pan, Shanlin Analytical Chemistry, Vol. 80, Issue 19 https://doi.org/10.1021/ac801142g	journal	October 2008
Nanoelectrochemical Approach To Detecting Short-Lived Intermediates of Electrocatalytic Oxygen Reduction Zhou, Min; Yu, Yun; Hu, Keke Journal of the American Chemical Society, Vol. 137, Issue 20 https://doi.org/10.1021/ja512482n	journal	May 2015
Probing Single Molecules and Single Nanoparticles by Surface-Enhanced Raman Scattering Nie, Shuming; Emory, Steven R. Science, Vol. 275, Issue 5303, p. 1102-1106 https://doi.org/10.1126/science.275.5303.1102	journal	February 1997
Particle suspension reactors and materials for solar-driven water splitting Fabian, David M.; Hu, Shu; Singh, Nirala Energy & Environmental Science, Vol. 8, Issue 10 https://doi.org/10.1039/C5EE01434D	journal	January 2015
Investigation of Arrays of Photosynthetically Active Heterostructures Using Conductive Probe Atomic Force Microscopy Economou, Nicholas J.; Mubeen, Syed; Buratto, Steven K. Nano Letters, Vol. 14, Issue 6 https://doi.org/10.1021/nl500754q	journal	May 2014
Probing electrode/electrolyte interfacial structure in the potential region of hydrogen evolution by Raman spectroscopy Tian, Zhong-Qun; Ren, Bin; Chen, Yan-Xia Journal of the Chemical Society, Faraday Transactions, Vol. 92, Issue 20 https://doi.org/10.1039/ft9969203829	journal	January 1996
New cubic perovskites for one- and two-photon water splitting using the computational materials repository Castelli, Ivano E.; Landis, David D.; Thygesen, Kristian S. Energy & Environmental Science, Vol. 5, Issue 10 https://doi.org/10.1039/c2ee22341d	journal	January 2012
Simulations of the irradiation and temperature dependence of the efficiency of tandem photoelectrochemical water-splitting systems Haussener, Sophia; Hu, Shu; Xiang, Chengxiang Energy & Environmental Science, Vol. 6, Issue 12 https://doi.org/10.1039/c3ee41302k	journal	January 2013
Probing the electronic structure of liquid water with many-body perturbation theory Pham, T. Anh; Zhang, Cui; Schwegler, Eric Physical Review B, Vol. 89, Issue 6 https://doi.org/10.1103/PhysRevB.89.060202	journal	February 2014
Beiträge zur Theorie des Mikroskops und der mikroskopischen Wahrnehmung Abbe, E. Archiv für Mikroskopische Anatomie, Vol. 9, Issue 1 https://doi.org/10.1007/BF02956173	journal	December 1873
An Integrated 1-Dimensional Model of a Photoelectrochemical Cell for Water Splitting Berger, Alan; Newman, John Journal of The Electrochemical Society, Vol. 161, Issue 8 https://doi.org/10.1149/2.035408jes	journal	January 2014
First-principles calculations of gap bowing in ${In}_{x} {Ga}_{1 - x} N$ and ${In}_{x} {Al}_{1 - x} N$ alloys: Relation to structural and thermodynamic properties Ferhat, M.; Bechstedt, F. Physical Review B, Vol. 65, Issue 7 https://doi.org/10.1103/PhysRevB.65.075213	journal	February 2002
Fluorescence Imaging of the Heterogeneous Reduction of Oxygen Bowyer, Walter J.; Xie, Jian; Engstrom, Royce C. Analytical Chemistry, Vol. 68, Issue 13 https://doi.org/10.1021/ac9512259	journal	January 1996
Semiconductor-based Photocatalytic Hydrogen Generation Chen, Xiaobo; Shen, Shaohua; Guo, Liejin Chemical Reviews, Vol. 110, Issue 11 https://doi.org/10.1021/cr1001645	journal	November 2010
Interrogation of Surfaces for the Quantification of Adsorbed Species on Electrodes: Oxygen on Gold and Platinum in Neutral Media ^† Rodríguez-López, Joaquín; Alpuche-Avilés, Mario A.; Bard, Allen J. Journal of the American Chemical Society, Vol. 130, Issue 50 https://doi.org/10.1021/ja8050553	journal	December 2008
Structure and dynamics of liquid water on rutile ${TiO}_{2} (110)$ Liu, Li-Min; Zhang, Changjun; Thornton, Geoff Physical Review B, Vol. 82, Issue 16 https://doi.org/10.1103/PhysRevB.82.161415	journal	October 2010
Rotationally invariant ab initio evaluation of Coulomb and exchange parameters for DFT+U calculations Mosey, Nicholas J.; Liao, Peilin; Carter, Emily A. The Journal of Chemical Physics, Vol. 129, Issue 1 https://doi.org/10.1063/1.2943142	journal	July 2008
Improving accuracy and efficiency of calculations of photoemission spectra within the many-body perturbation theory Nguyen, Huy-Viet; Pham, T. Anh; Rocca, Dario Physical Review B, Vol. 85, Issue 8 https://doi.org/10.1103/PhysRevB.85.081101	journal	February 2012
The structure of interfacial water on gold electrodes studied by x-ray absorption spectroscopy Velasco-Velez, J. -J.; Wu, C. H.; Pascal, T. A. Science, Vol. 346, Issue 6211 https://doi.org/10.1126/science.1259437	journal	October 2014
Surface atomic order of compound III-V semiconductor alloys at finite temperature Thomas, John C.; Millunchick, Joanna Mirecki; Modine, Normand A. Physical Review B, Vol. 80, Issue 12 https://doi.org/10.1103/PhysRevB.80.125315	journal	September 2009
Scanning electrochemical microscopy. 12. Theory and experiment of the feedback mode with finite heterogeneous electron-transfer kinetics and arbitrary substrate size Bard, Allen J.; Mirkin, Michael V.; Unwin, Patrick R. The Journal of Physical Chemistry, Vol. 96, Issue 4 https://doi.org/10.1021/j100183a064	journal	February 1992
ZnWO ₄ /WO ₃ Composite for Improving Photoelectrochemical Water Oxidation Leonard, Kevin C.; Nam, Ki Min; Lee, Heung Chan The Journal of Physical Chemistry C, Vol. 117, Issue 31 https://doi.org/10.1021/jp403506q	journal	July 2013
In Situ Investigation of Localized Corrosion of Aluminum Alloys in Chloride Solution Using Integrated EC-AFM/SECM Techniques Davoodi, A.; Pan, J.; Leygraf, C. Electrochemical and Solid-State Letters, Vol. 8, Issue 6 https://doi.org/10.1149/1.1911900	journal	January 2005
Combined Scanning Electrochemical−Atomic Force Microscopy Macpherson, Julie V.; Unwin, Patrick R. Analytical Chemistry, Vol. 72, Issue 2 https://doi.org/10.1021/ac990921w	journal	January 2000
Noncontact Electrochemical Imaging with Combined Scanning Electrochemical Atomic Force Microscopy Macpherson, Julie V.; Unwin, Patrick R. Analytical Chemistry, Vol. 73, Issue 3 https://doi.org/10.1021/ac001072b	journal	February 2001
Toward Computational Materials Design: The Impact of Density Functional Theory on Materials Research Hafner, Jürgen; Wolverton, Christopher; Ceder, Gerbrand MRS Bulletin, Vol. 31, Issue 9 https://doi.org/10.1557/mrs2006.174	journal	September 2006
Grain Boundary Controlled Electron Mobility in Polycrystalline Titanium Dioxide Wallace, Suzanne K.; McKenna, Keith P. Advanced Materials Interfaces, Vol. 1, Issue 5 https://doi.org/10.1002/admi.201400078	journal	May 2014
ReaxFF: A Reactive Force Field for Hydrocarbons van Duin, Adri C. T.; Dasgupta, Siddharth; Lorant, Francois The Journal of Physical Chemistry A, Vol. 105, Issue 41 https://doi.org/10.1021/jp004368u	journal	October 2001
AFM's path to atomic resolution Giessibl, Franz J. Materials Today, Vol. 8, Issue 5 https://doi.org/10.1016/S1369-7021(05)00844-8	journal	May 2005
Enhanced Reactivity for Hydrogen Reactions at Pt Nanoislands on Au(111) Wolfschmidt, Holger; Weingarth, Daniel; Stimming, Ulrich ChemPhysChem, Vol. 11, Issue 7 https://doi.org/10.1002/cphc.201000148	journal	May 2010
Applications of dip-pen nanolithography Salaita, Khalid; Wang, Yuhuang; Mirkin, Chad A. Nature Nanotechnology, Vol. 2, Issue 3 https://doi.org/10.1038/nnano.2007.39	journal	February 2007
Modeling the Electrochemical Hydrogen Oxidation and Evolution Reactions on the Basis of Density Functional Theory Calculations Skúlason, Egill; Tripkovic, Vladimir; Björketun, Mårten E. The Journal of Physical Chemistry C, Vol. 114, Issue 50 https://doi.org/10.1021/jp110913n	journal	November 2010
Time-dependent density-functional theory for extended systems Botti, Silvana; Schindlmayr, Arno; Sole, Rodolfo Del Reports on Progress in Physics, Vol. 70, Issue 3 https://doi.org/10.1088/0034-4885/70/3/R02	journal	February 2007
Optical Excitations in Hematite (α-Fe ₂ O ₃ ) via Embedded Cluster Models: A CASPT2 Study Liao, Peilin; Carter, Emily A. The Journal of Physical Chemistry C, Vol. 115, Issue 42 https://doi.org/10.1021/jp206991v	journal	October 2011
Studying Surface Chemistry beyond the Diffraction Limit: 10 Years of TERS Domke, Katrin F.; Pettinger, Bruno ChemPhysChem, Vol. 11, Issue 7 https://doi.org/10.1002/cphc.200900975	journal	May 2010
Scanning tunneling spectroscopy of methyl- and ethyl-terminated Si(111) surfaces Yu, Hongbin; Webb, Lauren J.; Heath, James R. Applied Physics Letters, Vol. 88, Issue 25 https://doi.org/10.1063/1.2203968	journal	June 2006
Scanning tunneling microscopy and tunneling spectroscopy of n-type iron pyrite (n-FeS2) single crystals Fan, Fu Ren; Bard, Allen J. The Journal of Physical Chemistry, Vol. 95, Issue 5 https://doi.org/10.1021/j100158a016	journal	March 1991
In situ monitoring of electroactive species by using the scanning electrochemical microscope. Application to the investigation of degradation processes at defective coated metals Souto, R. M.; González-Garcı́a, Y.; González, S. Corrosion Science, Vol. 47, Issue 12 https://doi.org/10.1016/j.corsci.2005.07.005	journal	December 2005
Revised self-consistent continuum solvation in electronic-structure calculations Andreussi, Oliviero; Dabo, Ismaila; Marzari, Nicola The Journal of Chemical Physics, Vol. 136, Issue 6 https://doi.org/10.1063/1.3676407	journal	February 2012
LBIC and Reflectance Mapping of Multicrystalline Si Solar Cells Moralejo, B.; González, M. A.; Jiménez, J. Journal of Electronic Materials, Vol. 39, Issue 6 https://doi.org/10.1007/s11664-010-1174-8	journal	March 2010
Direct Electrochemical Measurements Inside a 2000 Angstrom Thick Polymer Film by Scanning Electrochemical Microscopy Mirkin, M. V.; Fan, F. -R. F.; Bard, A. J. Science, Vol. 257, Issue 5068 https://doi.org/10.1126/science.257.5068.364	journal	July 1992
Towards the computational design of solid catalysts Nørskov, J.; Bligaard, T.; Rossmeisl, J. Nature Chemistry, Vol. 1, Issue 1, p. 37-46 https://doi.org/10.1038/nchem.121	journal	April 2009
Density functional theory calculations for the hydrogen evolution reaction in an electrochemical double layer on the Pt(111) electrode Skúlason, Egill; Karlberg, Gustav S.; Rossmeisl, Jan Phys. Chem. Chem. Phys., Vol. 9, Issue 25 https://doi.org/10.1039/B700099E	journal	January 2007
$G W$ calculations using the spectral decomposition of the dielectric matrix: Verification, validation, and comparison of methods Pham, T. Anh; Nguyen, Huy-Viet; Rocca, Dario Physical Review B, Vol. 87, Issue 15 https://doi.org/10.1103/PhysRevB.87.155148	journal	April 2013
Alignment of the dye’s molecular levels with the TiO ₂ band edges in dye-sensitized solar cells: a DFT–TDDFT study De Angelis, Filippo; Fantacci, Simona; Selloni, Annabella Nanotechnology, Vol. 19, Issue 42 https://doi.org/10.1088/0957-4484/19/42/424002	journal	September 2008
Nonadiabatic Dynamics of Positive Charge during Photocatalytic Water Splitting on GaN(10-10) Surface: Charge Localization Governs Splitting Efficiency Akimov, Alexey V.; Muckerman, James T.; Prezhdo, Oleg V. Journal of the American Chemical Society, Vol. 135, Issue 23 https://doi.org/10.1021/ja4029395	journal	May 2013
Scanning Electrochemical Cell Microscopy: A Versatile Technique for Nanoscale Electrochemistry and Functional Imaging Ebejer, Neil; Güell, Aleix G.; Lai, Stanley C. S. Annual Review of Analytical Chemistry, Vol. 6, Issue 1 https://doi.org/10.1146/annurev-anchem-062012-092650	journal	June 2013
Electron Transport in Pure and Doped Hematite Liao, Peilin; Toroker, Maytal Caspary; Carter, Emily A. Nano Letters, Vol. 11, Issue 4, p. 1775-1781 https://doi.org/10.1021/nl200356n	journal	April 2011
Electron-hole excitations and optical spectra from first principles Rohlfing, Michael; Louie, Steven G. Physical Review B, Vol. 62, Issue 8 https://doi.org/10.1103/PhysRevB.62.4927	journal	August 2000
Density Functional Theory Study of Water Dissociative Chemisorption on the Fe ₃ O ₄ (111) Surface Zhou, Chenggang; Zhang, Qingfan; Chen, Lei The Journal of Physical Chemistry C, Vol. 114, Issue 49 https://doi.org/10.1021/jp105040v	journal	November 2010
Density Functional Theory in Transition-Metal Chemistry: A Self-Consistent Hubbard $U$ Approach Kulik, Heather J.; Cococcioni, Matteo; Scherlis, Damian A. Physical Review Letters, Vol. 97, Issue 10 https://doi.org/10.1103/PhysRevLett.97.103001	journal	September 2006
Local structural models of complex oxygen- and hydroxyl-rich GaP/InP(001) surfaces Wood, Brandon C.; Ogitsu, Tadashi; Schwegler, Eric The Journal of Chemical Physics, Vol. 136, Issue 6 https://doi.org/10.1063/1.3682768	journal	February 2012
Plasmon-Enhanced Photocatalytic Activity of Iron Oxide on Gold Nanopillars Gao, Hanwei; Liu, Chong; Jeong, Hoon Eui ACS Nano, Vol. 6, Issue 1 https://doi.org/10.1021/nn203457a	journal	December 2011
Defect structures in CuInSe $_{2}$ : A combination of Monte Carlo simulations and density functional theory Ludwig, Christian D. R.; Gruhn, Thomas; Felser, Claudia Physical Review B, Vol. 83, Issue 17 https://doi.org/10.1103/PhysRevB.83.174112	journal	May 2011
Addressing the terawatt challenge: scalability in the supply of chemical elements for renewable energy Vesborg, Peter C. K.; Jaramillo, Thomas F. RSC Advances, Vol. 2, Issue 21 https://doi.org/10.1039/c2ra20839c	journal	January 2012
Fluorescence Confocal Laser Scanning Microscopy as a Probe of pH Gradients in Electrode Reactions and Surface Activity Rudd, Nicola C.; Cannan, Susan; Bitziou, Eleni Analytical Chemistry, Vol. 77, Issue 19 https://doi.org/10.1021/ac050800y	journal	October 2005
Modelling electrified interfaces in quantum chemistry: constant charge vs. constant potential Benedikt, Udo; Schneider, Wolfgang B.; Auer, Alexander A. Physical Chemistry Chemical Physics, Vol. 15, Issue 8 https://doi.org/10.1039/c2cp42675g	journal	January 2013
Intermittent Contact−Scanning Electrochemical Microscopy (IC−SECM): A New Approach for Tip Positioning and Simultaneous Imaging of Interfacial Topography and Activity MKelvey, Kim; Edwards, Martin A.; Unwin, Patrick R. Analytical Chemistry, Vol. 82, Issue 15 https://doi.org/10.1021/ac101099e	journal	August 2010
Mesoscale modeling of photoelectrochemical devices: light absorption and carrier collection in monolithic, tandem, Si\|WO₃ microwires Fountaine, Katherine T.; Atwater, Harry A. Optics Express, Vol. 22, Issue S6, p. A1453-A1461 https://doi.org/10.1364/OE.22.0A1453	journal	January 2014
Raman Spectra of Liquid Water from Ab Initio Molecular Dynamics: Vibrational Signatures of Charge Fluctuations in the Hydrogen Bond Network Wan, Quan; Spanu, Leonardo; Galli, Giulia A. Journal of Chemical Theory and Computation, Vol. 9, Issue 9 https://doi.org/10.1021/ct4005307	journal	August 2013
Plasmonics for near-field nano-imaging and superlensing Kawata, Satoshi; Inouye, Yasushi; Verma, Prabhat Nature Photonics, Vol. 3, Issue 7 https://doi.org/10.1038/nphoton.2009.111	journal	July 2009
Stepwise Photocatalytic Dissociation of Methanol and Water on TiO ₂ (110) Guo, Qing; Xu, Chenbiao; Ren, Zefeng Journal of the American Chemical Society, Vol. 134, Issue 32 https://doi.org/10.1021/ja304049x	journal	July 2012
Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies Hybertsen, Mark S.; Louie, Steven G. Physical Review B, Vol. 34, Issue 8, p. 5390-5413 https://doi.org/10.1103/PhysRevB.34.5390	journal	October 1986
Computational screening of perovskite metal oxides for optimal solar light capture Castelli, Ivano E.; Olsen, Thomas; Datta, Soumendu Energy Environ. Sci., Vol. 5, Issue 2 https://doi.org/10.1039/C1EE02717D	journal	January 2012
Measurement of Double-Layer Forces at the Electrode/Electrolyte Interface Using the Atomic Force Microscope: Potential and Anion Dependent Interactions Hillier, Andrew C.; Kim, Sunghyun; Bard, Allen J. The Journal of Physical Chemistry, Vol. 100, Issue 48 https://doi.org/10.1021/jp961629k	journal	January 1996
Screening of Novel Metal Oxide Photocatalysts by Scanning Electrochemical Microscopy and Research of Their Photoelectrochemical Properties Liu, Wen; Ye, Heechang; Bard, Allen J. The Journal of Physical Chemistry C, Vol. 114, Issue 2 https://doi.org/10.1021/jp909470f	journal	December 2009
Physical Chemistry of Semiconductor−Liquid Interfaces Nozik, Arthur J.; Memming, Rüdiger The Journal of Physical Chemistry, Vol. 100, Issue 31 https://doi.org/10.1021/jp953720e	journal	January 1996
Shell-isolated nanoparticle-enhanced Raman spectroscopy Li, Jian Feng; Huang, Yi Fan; Ding, Yong Nature, Vol. 464, Issue 7287, p. 392-395 https://doi.org/10.1038/nature08907	journal	March 2010
Directly Probing the Effects of Ions on Hydration Forces at Interfaces Kilpatrick, Jason I.; Loh, Siu-Hong; Jarvis, Suzanne P. Journal of the American Chemical Society, Vol. 135, Issue 7 https://doi.org/10.1021/ja310255s	journal	February 2013
Photothermoelectric and photovoltaic effects both present in MoS2 Zhang, Youwei; Li, Hui; Wang, Lu Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep07938	journal	January 2015
Scanning Electrochemical Microscopy of Precursor Sites for Pitting Corrosion on Titanium Casillas, Norberto Journal of The Electrochemical Society, Vol. 140, Issue 9 https://doi.org/10.1149/1.2220897	journal	January 1993
Electrical Measurement Techniques in Atomic Force Microscopy Avila, Alba; Bhushan, Bharat Critical Reviews in Solid State and Materials Sciences, Vol. 35, Issue 1 https://doi.org/10.1080/10408430903362230	journal	February 2010
Solvent-Induced Proton Hopping at a Water–Oxide Interface Tocci, Gabriele; Michaelides, Angelos The Journal of Physical Chemistry Letters, Vol. 5, Issue 3 https://doi.org/10.1021/jz402646c	journal	January 2014
Ab initio evaluation of Coulomb and exchange parameters for $DFT + U$ calculations Mosey, Nicholas J.; Carter, Emily A. Physical Review B, Vol. 76, Issue 15 https://doi.org/10.1103/PhysRevB.76.155123	journal	October 2007
First-Principles Approach to Calculating Energy Level Alignment at Aqueous Semiconductor Interfaces Kharche, Neerav; Muckerman, James T.; Hybertsen, Mark S. Physical Review Letters, Vol. 113, Issue 17 https://doi.org/10.1103/PhysRevLett.113.176802	journal	October 2014
Material requirements for membrane separators in a water-splitting photoelectrochemical cell Berger, Alan; Segalman, R. A.; Newman, J. Energy Environ. Sci., Vol. 7, Issue 4 https://doi.org/10.1039/C3EE43807D	journal	January 2014
Surface-enhanced Raman scattering Campion, Alan; Kambhampati, Patanjali Chemical Society Reviews, Vol. 27, Issue 4 https://doi.org/10.1039/a827241z	journal	January 1998
High-Resolution Photocurrent Mapping of Carbon Nanostructures Burghard, Marko; Mews, Alf ACS Nano, Vol. 6, Issue 7 https://doi.org/10.1021/nn3029088	journal	June 2012
Correlating long-lived photogenerated hole populations with photocurrent densities in hematite water oxidation photoanodes Pendlebury, Stephanie R.; Cowan, Alexander J.; Barroso, Monica Energy Environ. Sci., Vol. 5, Issue 4 https://doi.org/10.1039/C1EE02567H	journal	January 2012
Metastable Dark States Enable Ground State Depletion Microscopy of Nitrogen Vacancy Centers in Diamond with Diffraction-Unlimited Resolution Han, Kyu Young; Kim, Seong Keun; Eggeling, Christian Nano Letters, Vol. 10, Issue 8 https://doi.org/10.1021/nl102156m	journal	August 2010
Structure of Water at the Electrified Platinum−Water Interface: A Study by Surface-Enhanced Infrared Absorption Spectroscopy Osawa, Masatoshi; Tsushima, Minoru; Mogami, Hirokazu The Journal of Physical Chemistry C, Vol. 112, Issue 11 https://doi.org/10.1021/jp710386g	journal	February 2008
Differential electrochemical mass spectrometry Baltruschat, Helmut Journal of the American Society for Mass Spectrometry, Vol. 15, Issue 12 https://doi.org/10.1016/j.jasms.2004.09.011	journal	December 2004
Atomic-Scale Distribution of Water Molecules at the Mica-Water Interface Visualized by Three-Dimensional Scanning Force Microscopy Fukuma, Takeshi; Ueda, Yasumasa; Yoshioka, Shunsuke Physical Review Letters, Vol. 104, Issue 1 https://doi.org/10.1103/PhysRevLett.104.016101	journal	January 2010
Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways Mathew, Kiran; Sundararaman, Ravishankar; Letchworth-Weaver, Kendra The Journal of Chemical Physics, Vol. 140, Issue 8 https://doi.org/10.1063/1.4865107	journal	February 2014
Towards a comprehensive understanding of platinum dissolution in acidic media Topalov, Angel A.; Cherevko, Serhiy; Zeradjanin, Aleksandar R. Chem. Sci., Vol. 5, Issue 2 https://doi.org/10.1039/C3SC52411F	journal	January 2014
A Multielectrode Electrochemical and Scanning Differential Electrochemical Mass Spectrometry Study of Methanol Oxidation on Electrodeposited Pt _x Ru _y Jambunathan, K.; Jayaraman, S.; Hillier, A. C. Langmuir, Vol. 20, Issue 5 https://doi.org/10.1021/la035567i	journal	March 2004
Ordering thermodynamics of surface and subsurface layers in the ${Ga}_{1 - x}$ ${In}_{x}$ P alloy Osório, Roberto; Bernard, James E.; Froyen, Sverre Physical Review B, Vol. 45, Issue 19 https://doi.org/10.1103/PhysRevB.45.11173	journal	May 1992
First-Principles Molecular Dynamics at a Constant Electrode Potential Bonnet, Nicéphore; Morishita, Tetsuya; Sugino, Osamu Physical Review Letters, Vol. 109, Issue 26 https://doi.org/10.1103/PhysRevLett.109.266101	journal	December 2012
Self-consistent hybrid functional for condensed systems Skone, Jonathan H.; Govoni, Marco; Galli, Giulia Physical Review B, Vol. 89, Issue 19 https://doi.org/10.1103/PhysRevB.89.195112	journal	May 2014
Single-Molecule Electron Transfer in Electrochemical Environments Zhang, Jingdong; Kuznetsov, Alexander M.; Medvedev, Igor G. Chemical Reviews, Vol. 108, Issue 7 https://doi.org/10.1021/cr068073+	journal	July 2008
SERS: Materials, applications, and the future Sharma, Bhavya; Frontiera, Renee R.; Henry, Anne-Isabelle Materials Today, Vol. 15, Issue 1-2 https://doi.org/10.1016/S1369-7021(12)70017-2	journal	January 2012
Trajectory Surface Hopping within Linear Response Time-Dependent Density-Functional Theory Tapavicza, Enrico; Tavernelli, Ivano; Rothlisberger, Ursula Physical Review Letters, Vol. 98, Issue 2 https://doi.org/10.1103/PhysRevLett.98.023001	journal	January 2007
First-Principles Prediction of Vacancy Order-Disorder and Intercalation Battery Voltages in ${Li}_{x} {CoO}_{2}$ Wolverton, C.; Zunger, Alex Physical Review Letters, Vol. 81, Issue 3 https://doi.org/10.1103/PhysRevLett.81.606	journal	July 1998
Scanning droplet cell for high throughput electrochemical and photoelectrochemical measurements Gregoire, John M.; Xiang, Chengxiang; Liu, Xiaonao Review of Scientific Instruments, Vol. 84, Issue 2 https://doi.org/10.1063/1.4790419	journal	February 2013
Combined Scanning Electrochemical/Optical Microscopy with Shear Force and Current Feedback Lee, Youngmi; Ding, Zhifeng; Bard, Allen J. Analytical Chemistry, Vol. 74, Issue 15 https://doi.org/10.1021/ac015713u	journal	August 2002
Dependence of Water Dynamics on Molecular Adsorbates near Hydrophobic Surfaces: First-Principles Molecular Dynamics Study Lee, Donghwa; Schwegler, Eric; Kanai, Yosuke The Journal of Physical Chemistry C, Vol. 118, Issue 16 https://doi.org/10.1021/jp502850k	journal	April 2014
Will Solar-Driven Water-Splitting Devices See the Light of Day? McKone, James R.; Lewis, Nathan S.; Gray, Harry B. Chemistry of Materials, Vol. 26, Issue 1 https://doi.org/10.1021/cm4021518	journal	September 2013
Advances on scanning electrochemical microscopy (SECM) for energy Bertoncello, Paolo Energy & Environmental Science, Vol. 3, Issue 11 https://doi.org/10.1039/c0ee00046a	journal	January 2010
On-line mass spectrometry system for measurements at single-crystal electrodes in hanging meniscus configuration Wonders, A. H.; Housmans, T. H. M.; Rosca, V. Journal of Applied Electrochemistry, Vol. 36, Issue 11 https://doi.org/10.1007/s10800-006-9173-4	journal	August 2006
Terahertz Spectroscopy Baxter, Jason B.; Guglietta, Glenn W. Analytical Chemistry, Vol. 83, Issue 12 https://doi.org/10.1021/ac200907z	journal	June 2011
Rapid Preparation and Photoelectrochemical Screening of CuInSe ₂ and CuInMSe ₂ Arrays by Scanning Electrochemical Microscopy Liu, Guanjie; Bard, Allen J. The Journal of Physical Chemistry C, Vol. 114, Issue 41 https://doi.org/10.1021/jp1058879	journal	September 2010
Imaging Water-Splitting Electrocatalysts with pH-Sensing Confocal Fluorescence Microscopy Leenheer, Andrew J.; Atwater, Harry A. Journal of The Electrochemical Society, Vol. 159, Issue 9 https://doi.org/10.1149/2.022209jes	journal	January 2012
Atomic-Scale Perspective of Ultrafast Charge Transfer at a Dye–Semiconductor Interface Siefermann, Katrin R.; Pemmaraju, Chaitanya D.; Neppl, Stefan The Journal of Physical Chemistry Letters, Vol. 5, Issue 15 https://doi.org/10.1021/jz501264x	journal	July 2014
Surface Interrogation Scanning Electrochemical Microscopy (SI-SECM) of Photoelectrochemistry at a W/Mo-BiVO ₄ Semiconductor Electrode: Quantification of Hydroxyl Radicals during Water Oxidation Park, Hyun S.; Leonard, Kevin C.; Bard, Allen J. The Journal of Physical Chemistry C, Vol. 117, Issue 23 https://doi.org/10.1021/jp400478z	journal	May 2013
Reaction of Br ₂ with Adsorbed CO on Pt, Studied by the Surface Interrogation Mode of Scanning Electrochemical Microscopy Wang, Qian; Rodríguez-López, Joaquín; Bard, Allen J. Journal of the American Chemical Society, Vol. 131, Issue 47 https://doi.org/10.1021/ja907626t	journal	December 2009
Synthesis and Characterization of High-Photoactivity Electrodeposited Cu ₂ O Solar Absorber by Photoelectrochemistry and Ultrafast Spectroscopy Paracchino, Adriana; Brauer, Jan Cornelius; Moser, Jacques-Edouard The Journal of Physical Chemistry C, Vol. 116, Issue 13 https://doi.org/10.1021/jp301176y	journal	March 2012
Scanning Electrochemical Microscopy with Gold Nanotips: The Effect of Electrode Material on Electron Transfer Rates Velmurugan, Jeyavel; Sun, Peng; Mirkin, Michael V. The Journal of Physical Chemistry C, Vol. 113, Issue 1 https://doi.org/10.1021/jp808632w	journal	December 2008
On the Structure of the Helmholtz Layer and its Implications on Electrode Kinetics Lewerenz, H. J. ECS Transactions, Vol. 50, Issue 52 https://doi.org/10.1149/05052.0003ecst	journal	April 2013
Measurement of Local Reactivity at Liquid/Solid, Liquid/Liquid, and Liquid/Gas Interfaces with the Scanning Electrochemical Microscope: Principles, Theory, and Applications of the Double Potential Step Chronoamperometric Mode Slevin, Christopher J.; Macpherson, Julie V.; Unwin, Patrick R. The Journal of Physical Chemistry B, Vol. 101, Issue 50 https://doi.org/10.1021/jp972587i	journal	December 1997
Scanning tunneling microscopy and tunneling spectroscopy of the titania(001) surface Fan, Fu Ren F.; Bard, Allen J. The Journal of Physical Chemistry, Vol. 94, Issue 9 https://doi.org/10.1021/j100372a075	journal	May 1990
Hydroxylation Structure and Proton Transfer Reactivity at the Zinc Oxide−Water Interface Raymand, David; van Duin, Adri C. T.; Goddard, William A. The Journal of Physical Chemistry C, Vol. 115, Issue 17 https://doi.org/10.1021/jp106144p	journal	April 2011
Simultaneous Scanning Electrochemical and Photoelectrochemical Microscopy by Use of a Metallized Optical Fiber James, Patrick Journal of The Electrochemical Society, Vol. 143, Issue 12 https://doi.org/10.1149/1.1837308	journal	January 1996
Plasmonic Materials for Surface-Enhanced Sensing and Spectroscopy Haes, Amanda J.; Haynes, Christy L.; McFarland, Adam D. MRS Bulletin, Vol. 30, Issue 5 https://doi.org/10.1557/mrs2005.100	journal	May 2005
An analysis of the optimal band gaps of light absorbers in integrated tandem photoelectrochemical water-splitting systems Hu, Shu; Xiang, Chengxiang; Haussener, Sophia Energy & Environmental Science, Vol. 6, Issue 10 https://doi.org/10.1039/c3ee40453f	journal	January 2013
Electrostatic sample-tip interactions in the scanning tunneling microscope McEllistrem, M.; Haase, G.; Chen, D. Physical Review Letters, Vol. 70, Issue 16 https://doi.org/10.1103/PhysRevLett.70.2471	journal	April 1993
Impact of Hydrophilic/Hydrophobic Surface Chemistry on Hydration Forces in the Absence of Confinement Kaggwa, Gillian B.; Nalam, Prathima C.; Kilpatrick, Jason I. Langmuir, Vol. 28, Issue 16 https://doi.org/10.1021/la300155c	journal	April 2012
Direct Photocatalysis by Plasmonic Nanostructures Kale, Matthew J.; Avanesian, Talin; Christopher, Phillip ACS Catalysis, Vol. 4, Issue 1 https://doi.org/10.1021/cs400993w	journal	December 2013
Theoretical Insights into Photoinduced Charge Transfer and Catalysis at Oxide Interfaces Akimov, Alexey V.; Neukirch, Amanda J.; Prezhdo, Oleg V. Chemical Reviews, Vol. 113, Issue 6 https://doi.org/10.1021/cr3004899	journal	December 2012
Design of a high-speed electrochemical scanning tunneling microscope Yanson, Y. I.; Schenkel, F.; Rost, M. J. Review of Scientific Instruments, Vol. 84, Issue 2 https://doi.org/10.1063/1.4779086	journal	February 2013
Molecular Bonding and Interactions at Aqueous Surfaces as Probed by Vibrational Sum Frequency Spectroscopy Richmond, G. L. Chemical Reviews, Vol. 102, Issue 8 https://doi.org/10.1021/cr0006876	journal	August 2002
Photovoltaic Measurements in Single-Nanowire Silicon Solar Cells Kelzenberg, Michael D.; Turner-Evans, Daniel B.; Kayes, Brendan M. Nano Letters, Vol. 8, Issue 2, p. 710-714 https://doi.org/10.1021/nl072622p	journal	February 2008
Plasmonic-metal nanostructures for efficient conversion of solar to chemical energy Linic, Suljo; Christopher, Phillip; Ingram, David B. Nature Materials, Vol. 10, Issue 12 https://doi.org/10.1038/nmat3151	journal	November 2011

Cited By (7)

Ab initio simulations of liquid electrolytes for energy conversion and storage Pham, Tuan Anh International Journal of Quantum Chemistry, Vol. 119, Issue 1 https://doi.org/10.1002/qua.25795	journal	October 2018
Modelling heterogeneous interfaces for solar water splitting Pham, Tuan Anh; Ping, Yuan; Galli, Giulia Nature Materials, Vol. 16, Issue 4 https://doi.org/10.1038/nmat4803	journal	January 2017
Probing the dynamics of photogenerated holes in doped hematite photoanodes for solar water splitting using transient absorption spectroscopy Pei, Guang Xian; Wijten, Jochem H. J.; Weckhuysen, Bert M. Physical Chemistry Chemical Physics, Vol. 20, Issue 15 https://doi.org/10.1039/c8cp00981c	journal	January 2018
Advanced space- and time-resolved techniques for photocatalyst studies Gao, Yuying; Nie, Wei; Wang, Xiuli Chemical Communications, Vol. 56, Issue 7 https://doi.org/10.1039/c9cc07128h	journal	January 2020
Design and operation of a scanning electrochemical microscope for imaging with continuous line probes Dorfi, Anna E.; Kuo, Han-wen; Smirnova, Vera Review of Scientific Instruments, Vol. 90, Issue 8 https://doi.org/10.1063/1.5095951	journal	August 2019
Degradation in photoelectrochemical devices: review with an illustrative case study Nandjou, Fredy; Haussener, Sophia Journal of Physics D: Applied Physics, Vol. 50, Issue 12 https://doi.org/10.1088/1361-6463/aa5b11	journal	February 2017
Water adsorption on the P-rich GaP(100) surface: optical spectroscopy from first principles May, Matthias M.; Sprik, Michiel New Journal of Physics, Vol. 20, Issue 3 https://doi.org/10.1088/1367-2630/aaaf38	journal	March 2018

Similar Records

Integrating computation and experiment to investigate photoelectrodes for solar water splitting at the microscopic scale.

Journal Article · Tue Oct 19 00:00:00 EDT 2021 · Accounts of Chemical Research · OSTI ID:1325882

Wang, Wennie; Radmilovic, Andjela; Choi, Kyoung-Shin; +1 more

Integrating Computation and Experiment to Investigate Photoelectrodes for Solar Water Splitting at the Microscopic Scale

Journal Article · Thu Oct 07 00:00:00 EDT 2021 · Accounts of Chemical Research · OSTI ID:1325882

Wang, Wennie; Radmilovic, Andjela; Choi, Kyoung-Shin; +1 more

Fundamental Mechanisms Driving the Amorphous to Crystalline Phase Transformation

Technical Report · Tue Jan 04 00:00:00 EST 2011 · OSTI ID:1325882

Reed, B W; Browning, N D; Santala, M K; +8 more

Related Subjects

36 MATERIALS SCIENCE
77 NANOSCIENCE AND NANOTECHNOLOGY
08 HYDROGEN
14 SOLAR ENERGY
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
photoelectrochemical cells
photoelectrodes
solar fuels
water splitting
scanning-probe microscopy
ultrafast spectroscopy
computational modeling
first-principles modeling
in situ experiments
nanoscale
microscale
materials development
scanning-photocurrent spectroscopy
scanning-electrochemical microscopy
scanning-tunneling microscopy
spectroelectrochemistry
Raman spectroscopy

Title: Methods of photoelectrode characterization with high spatial and temporal resolution

Citation Formats

References (285)

Cited By (7)

Similar Records

Related Subjects