Binding of Formic Acid on Anatase TiO2(101)

Wang, Yang; Wen, Bo; Dahal, Arjun P.; Kimmel, Gregory A.; Rousseau, Roger J.; Selloni, Annabella; Petrik, Nikolai G.; Dohnalek, Zdenek

doi:10.1021/acs.jpcc.0c06031

Title: Binding of Formic Acid on Anatase TiO2(101)

Journal Article · Thu Sep 17 00:00:00 EDT 2020 · Journal of Physical Chemistry C

DOI:https://doi.org/10.1021/acs.jpcc.0c06031· OSTI ID:1701727

Wang, Yang ^[1]; Wen, Bo ^[2];

^[3];

^[3]; Rousseau, Roger J. ^[3]; Selloni, Annabella ^[2]; Petrik, Nikolai G. ^[4];

^[3]

Washington University In Saint Louis
Princeton University
BATTELLE (PACIFIC NW LAB)
Battelle (Pacific NW Lab)

The adsorption of formic acid (FA) and the formation of formate species on metal oxide surfaces are of great interest in catalysis. Formic acid is used to probe the adsorption properties of surface sites and formates are common intermediates in many catalytic reactions. Here we focus on the interaction of FA with a prototypical anatase TiO2(101) surface by using a combination of scanning tunneling microscopy (STM), infrared reflection absorption spectroscopy (IRAS), electron stimulated desorption (ESD), and density functional theory (DFT) to assess the coverage dependent evolution of different FA-derived surface species at low temperatures (80–240 K). We find that isolated FA adsorbs at 80 K in both monodentate (MD) and bidentate (BD) configurations on top of undercoordinated Ti sites (Ti5c). The MD form is likely deprotonated and readily converts upon annealing to bridging BD on two neighboring Ti5c sites. DFT calculations show that molecularly-bound MD FA is metastable and readily converts into a deprotonated state in the proximity of subsurface oxygen vacancy. The stability of the MD species increases as the availability of the paired Ti5c sites for BD formation diminishes at high coverages. Upon surface saturation, a mixed configuration of alternating bidentate and monodentate species with coverage of 2/3 FA/Ti5c represents the most favorable configuration. This is in contrast with the adsorption of FA on rutile TiO2(110) and many other oxides, where bidentate formate species dominate. Y.W., A.D., G.A.K., R.R., N.G.P., and Z.D. were supported by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences (BES), Division of Chemical Sciences, Geosciences and Biosciences (CSGB) under FWP 47319. B.W. and A.S. acknowledge the support of DOE BES, CSGB Division under Award DESC0007347. The experimental studies were performed in EMSL, a national scientific user facility sponsored by the Department of Energy’s Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is a multiprogram national laboratory operated for DOE by Battelle. The authors also acknowledge computational resources from the TIGRESS high-performance computer center at Princeton University.

Cite

Export

Save

Research Organization:: Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division

DOE Contract Number:: AC05-76RL01830

OSTI ID:: 1701727

Report Number(s):: PNNL-SA-153864

Journal Information:: Journal of Physical Chemistry C, Vol. 124, Issue 37

Country of Publication:: United States

Language:: English

References (72)

Nobel Prize in chemistry 1912 to Sabatier: Organic chemistry or catalysis? Che, Michel Catalysis Today, Vol. 218-219 https://doi.org/10.1016/j.cattod.2013.07.006	journal	December 2013
THE CATALYTIC DECOMPOSITION OF FORMIC ACID IN ACETIC ANHYDRIDE ¹ Schierz, Ernest R. Journal of the American Chemical Society, Vol. 45, Issue 2 https://doi.org/10.1021/ja01655a022	journal	February 1923
The Catalytic Decomposition of Formic Acid Vapor Clark, C. H. D.; Topley, B. The Journal of Physical Chemistry, Vol. 32, Issue 1 https://doi.org/10.1021/j150283a009	journal	January 1928
Ab initio quantum-chemical study of the unimolecular pyrolysis mechanisms of formic acid Ruelle, P.; Kesselring, U. W.; Nam-Tran, Ho Journal of the American Chemical Society, Vol. 108, Issue 3 https://doi.org/10.1021/ja00263a004	journal	February 1986
Unimolecular Decomposition of Formic Acid in the Gas PhaseOn the Ratio of the Competing Reaction Channels Saito, Ko; Shiose, Takanori; Takahashi, Osamu The Journal of Physical Chemistry A, Vol. 109, Issue 24 https://doi.org/10.1021/jp045072h	journal	June 2005
Switchover of Reaction Mechanism for the Catalytic Decomposition of HCOOH on a TiO ₂ (110) Surface Uemura, Yohei; Taniike, Toshiaki; Tada, Mizuki The Journal of Physical Chemistry C, Vol. 111, Issue 44 https://doi.org/10.1021/jp074524y	journal	November 2007
On the catalytic decomposition of formic acid. I. The activation energies for oxide catalysis Larsson, Ragnar; Jamróz, Michal H.; Borowiak, Marek A. Journal of Molecular Catalysis A: Chemical, Vol. 129, Issue 1 https://doi.org/10.1016/S1381-1169(97)00126-X	journal	March 1998
Adsorption and decomposition mechanism of formic acid on the Ga 2 O 3 surface by first principle studies Liu, Yan; Li, Zhen Hua Surface Science, Vol. 656 https://doi.org/10.1016/j.susc.2016.10.008	journal	February 2017
Dehydration Pathway for the Dissociation of Gas-Phase Formic Acid on Pt(111) Surface Observed via Ambient-Pressure XPS Jeong, Beomgyun; Jeon, Hongrae; Toyoshima, Ryo The Journal of Physical Chemistry C, Vol. 122, Issue 4 https://doi.org/10.1021/acs.jpcc.7b07735	journal	January 2018
Formic acid adsorption and decomposition on TiO 2 (1 1 0) and on Pd/TiO 2 (1 1 0) model catalysts Bowker, Michael; Stone, Peter; Bennett, Roger Surface Science, Vol. 511, Issue 1-3 https://doi.org/10.1016/S0039-6028(02)01540-6	journal	June 2002
Production of CO-Free H2 by Formic Acid Decomposition over Mo2C/Carbon Catalysts Koós, Ákos; Solymosi, Frigyes Catalysis Letters, Vol. 138, Issue 1-2 https://doi.org/10.1007/s10562-010-0375-3	journal	June 2010
The surface science of titanium dioxide Diebold, Ulrike Surface Science Reports, Vol. 48, Issue 5-8 https://doi.org/10.1016/S0167-5729(02)00100-0	journal	January 2003
Chemical reactions on rutile TiO2(110) Lun Pang, Chi; Lindsay, Robert; Thornton, Geoff Chemical Society Reviews, Vol. 37, Issue 10 https://doi.org/10.1039/b719085a	journal	January 2008
Surface point defects on bulk oxides: atomically-resolved scanning probe microscopy Setvín, Martin; Wagner, Margareta; Schmid, Michael Chemical Society Reviews, Vol. 46, Issue 7 https://doi.org/10.1039/C7CS00076F	journal	January 2017
Oxygen Vacancy Promoting Catalytic Dehydration of Formic Acid on TiO ₂ (110) by in Situ Scanning Tunneling Microscopic Observation Aizawa, Masaki; Morikawa, Yoshitada; Namai, Yoshimichi The Journal of Physical Chemistry B, Vol. 109, Issue 40 https://doi.org/10.1021/jp0523773	journal	October 2005
Ordered Carboxylates on TiO ₂ (110) Formed at Aqueous Interfaces Grinter, David C.; Woolcot, Thomas; Pang, Chi-Lun The Journal of Physical Chemistry Letters, Vol. 5, Issue 24 https://doi.org/10.1021/jz502249j	journal	November 2014
Complexity in the Decomposition of Formic Acid on the TiO ₂ (110) Surface Henderson, Michael A. The Journal of Physical Chemistry B, Vol. 101, Issue 2 https://doi.org/10.1021/jp961494i	journal	January 1997
Formic Acid on TiO _{2– x} (110): Dissociation, Motion, and Vacancy Healing Hu, Shuanglin; Bopp, Philippe A.; Österlund, Lars The Journal of Physical Chemistry C, Vol. 118, Issue 27 https://doi.org/10.1021/jp500771d	journal	June 2014
Anchoring functional molecules on TiO2 surfaces: A comparison between the carboxylic and the phosphonic acid group Luschtinetz, R.; Gemming, S.; Seifert, G. The European Physical Journal Plus, Vol. 126, Issue 10 https://doi.org/10.1140/epjp/i2011-11098-4	journal	October 2011
Adsorption of formic acid on rutile TiO ₂ (110) revisited: An infrared reflection-absorption spectroscopy and density functional theory study Mattsson, A.; Hu, Shuanglin; Hermansson, K. The Journal of Chemical Physics, Vol. 140, Issue 3 https://doi.org/10.1063/1.4855176	journal	January 2014
Adsorption of CH3OH, HCOOH and SO2 on TiO2(110) and stepped TiO2(441) surfaces Onishi, Hiroshi; Aruga, Tetsuya; Egawa, Chikashi Surface Science, Vol. 193, Issue 1-2 https://doi.org/10.1016/0039-6028(88)90321-4	journal	January 1988
Infrared studies of the reactive adsorption of organic molecules over metal oxides and of the mechanisms of their heterogeneously-catalyzed oxidation Busca, Guido Catalysis Today, Vol. 27, Issue 3-4 https://doi.org/10.1016/0920-5861(95)00162-X	journal	February 1996
Structure of Clean and Adsorbate-Covered Single-Crystal Rutile TiO ₂ Surfaces Pang, Chi Lun; Lindsay, Robert; Thornton, Geoff Chemical Reviews, Vol. 113, Issue 6 https://doi.org/10.1021/cr300409r	journal	December 2012
Structure Determination of Formic Acid Reaction Products on TiO ₂ (110) ^† Sayago, D. I.; Polcik, M.; Lindsay, R. The Journal of Physical Chemistry B, Vol. 108, Issue 38 https://doi.org/10.1021/jp049833s	journal	September 2004
First-Principles Theoretical Study and Scanning Tunneling Microscopic Observation of Dehydration Process of Formic Acid on a TiO ₂ (110) Surface ^† Morikawa, Yoshitada; Takahashi, Ittetsu; Aizawa, Masaki The Journal of Physical Chemistry B, Vol. 108, Issue 38 https://doi.org/10.1021/jp0497460	journal	September 2004
Photocatalysis on TiO2 Surfaces: Principles, Mechanisms, and Selected Results Linsebigler, Amy L.; Lu, Guangquan.; Yates, John T. Chemical Reviews, Vol. 95, Issue 3 https://doi.org/10.1021/cr00035a013	journal	May 1995
Photocatalytic Activity of Bulk ${TiO}_{2}$ Anatase and Rutile Single Crystals Using Infrared Absorption Spectroscopy Xu, Mingchun; Gao, Youkun; Moreno, Elias Martinez Physical Review Letters, Vol. 106, Issue 13 https://doi.org/10.1103/PhysRevLett.106.138302	journal	March 2011
Surfactant-Assisted Elimination of a High Energy Facet as a Means of Controlling the Shapes of TiO ₂ Nanocrystals Jun, Young-wook; Casula, Maria F.; Sim, Jae-Hwan Journal of the American Chemical Society, Vol. 125, Issue 51 https://doi.org/10.1021/ja0369515	journal	December 2003
Structure and energetics of stoichiometric ${TiO}_{2}$ anatase surfaces Lazzeri, Michele; Vittadini, Andrea; Selloni, Annabella Physical Review B, Vol. 63, Issue 15 https://doi.org/10.1103/PhysRevB.63.155409	journal	March 2001
Anatase TiO2 single crystals with a large percentage of reactive facets Yang, Hua Gui; Sun, Cheng Hua; Qiao, Shi Zhang Nature, Vol. 453, Issue 7195 https://doi.org/10.1038/nature06964	journal	May 2008
Hybrid Density Functional Calculations of Formic Acid on Anatase TiO ₂ (101) Surfaces Kou, L.; Frauenheim, Th.; Rosa, A. L. The Journal of Physical Chemistry C, Vol. 121, Issue 32 https://doi.org/10.1021/acs.jpcc.7b06957	journal	August 2017
Phosphonic acid adsorption at the TiO2 anatase (101) surface investigated by periodic hybrid HF-DFT computations Nilsing, Mattias; Lunell, Sten; Persson, Petter Surface Science, Vol. 582, Issue 1-3 https://doi.org/10.1016/j.susc.2005.02.044	journal	May 2005
Formic Acid Adsorption on Dry and Hydrated TiO ₂ Anatase (101) Surfaces by DFT Calculations Vittadini, A.; Selloni, A.; Rotzinger, F. P. The Journal of Physical Chemistry B, Vol. 104, Issue 6 https://doi.org/10.1021/jp993583b	journal	February 2000
Dissociation of formic acid on anatase TiO2(101) probed by vibrational spectroscopy Xu, Mingchun; Noei, Heshmat; Buchholz, Maria Catalysis Today, Vol. 182, Issue 1 https://doi.org/10.1016/j.cattod.2011.08.045	journal	March 2012
Probing equilibrium of molecular and deprotonated water on TiO ₂ (110) Wang, Zhi-Tao; Wang, Yang-Gang; Mu, Rentao Proceedings of the National Academy of Sciences, Vol. 114, Issue 8 https://doi.org/10.1073/pnas.1613756114	journal	February 2017
Nonthermal Water Splitting on Rutile TiO ₂ : Electron-Stimulated Production of H ₂ and O ₂ in Amorphous Solid Water Films on TiO ₂ (110) Petrik, Nikolay G.; Kimmel, Greg A. The Journal of Physical Chemistry C, Vol. 113, Issue 11 https://doi.org/10.1021/jp805013b	journal	February 2009
Molecular Water Adsorption and Reactions on α-Al ₂ O ₃ (0001) and α-Alumina Particles Petrik, Nikolay G.; Huestis, Patricia L.; LaVerne, Jay A. The Journal of Physical Chemistry C, Vol. 122, Issue 17 https://doi.org/10.1021/acs.jpcc.8b01969	journal	April 2018
Surface preparation of TiO2 anatase (101): Pitfalls and how to avoid them Setvín, Martin; Daniel, Benjamin; Mansfeldova, Vera Surface Science, Vol. 626 https://doi.org/10.1016/j.susc.2014.04.001	journal	August 2014
Nonlocal corrections to Fresnel optics: How to extend d -parameter theory beyond jellium models Schaich, W. L.; Chen, Wei Physical Review B, Vol. 39, Issue 15 https://doi.org/10.1103/PhysRevB.39.10714	journal	May 1989
Surface infrared spectroscopy Chabal, Y. J. Surface Science Reports, Vol. 8, Issue 5-7 https://doi.org/10.1016/0167-5729(88)90011-8	journal	May 1988
Reflection spectroscopy of adsorbed layers Hansen, Wilford N. Symposia of the Faraday Society, Vol. 4 https://doi.org/10.1039/sf9700400027	journal	January 1970
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
Inhomogeneous Electron Gas Hohenberg, P.; Kohn, W. Physical Review, Vol. 136, Issue 3B, p. B864-B871 https://doi.org/10.1103/PhysRev.136.B864	journal	November 1964
Self-Consistent Equations Including Exchange and Correlation Effects Kohn, W.; Sham, L. J. Physical Review, Vol. 140, Issue 4A, p. A1133-A1138 https://doi.org/10.1103/PhysRev.140.A1133	journal	November 1965
Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach VandeVondele, Joost; Krack, Matthias; Mohamed, Fawzi Computer Physics Communications, Vol. 167, Issue 2 https://doi.org/10.1016/j.cpc.2004.12.014	journal	April 2005
Strongly Constrained and Appropriately Normed Semilocal Density Functional Sun, Jianwei; Ruzsinszky, Adrienn; Perdew, John P. Physical Review Letters, Vol. 115, Issue 3 https://doi.org/10.1103/PhysRevLett.115.036402	journal	July 2015
Structure, Polarization, and Sum Frequency Generation Spectrum of Interfacial Water on Anatase TiO 2 Calegari Andrade, Marcos F.; Ko, Hsin-Yu; Car, Roberto The Journal of Physical Chemistry Letters, Vol. 9, Issue 23 https://doi.org/10.1021/acs.jpclett.8b03103	journal	November 2018
Separable dual-space Gaussian pseudopotentials Goedecker, S.; Teter, M.; Hutter, J. Physical Review B, Vol. 54, Issue 3 https://doi.org/10.1103/PhysRevB.54.1703	journal	July 1996
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502 https://doi.org/10.1088/0953-8984/21/39/395502	journal	September 2009
Optimized norm-conserving Vanderbilt pseudopotentials Hamann, D. R. Physical Review B, Vol. 88, Issue 8 https://doi.org/10.1103/PhysRevB.88.085117	journal	August 2013
Evidence for the Predominance of Subsurface Defects on Reduced Anatase ${TiO}_{2} (101)$ He, Yunbin; Dulub, Olga; Cheng, Hongzhi Physical Review Letters, Vol. 102, Issue 10 https://doi.org/10.1103/PhysRevLett.102.106105	journal	March 2009
(Sub)Surface Mobility of Oxygen Vacancies at the ${TiO}_{2}$ Anatase (101) Surface Scheiber, Philipp; Fidler, Martin; Dulub, Olga Physical Review Letters, Vol. 109, Issue 13 https://doi.org/10.1103/PhysRevLett.109.136103	journal	September 2012
Surface and subsurface oxygen vacancies in anatase ${TiO}_{2}$ and differences with rutile Cheng, Hongzhi; Selloni, Annabella Physical Review B, Vol. 79, Issue 9 https://doi.org/10.1103/PhysRevB.79.092101	journal	March 2009
Reaction of O2 with Subsurface Oxygen Vacancies on TiO2 Anatase (101) Setvin, M.; Aschauer, U.; Scheiber, P. Science, Vol. 341, Issue 6149 https://doi.org/10.1126/science.1239879	journal	August 2013
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
Scanning tunneling microscopy investigation of the ${TiO}_{2}$ anatase (101) surface Hebenstreit, Wilhelm; Ruzycki, Nancy; Herman, Gregory S. Physical Review B, Vol. 62, Issue 24 https://doi.org/10.1103/PhysRevB.62.R16334	journal	December 2000
Atomic species identification at the (101) anatase surface by simultaneous scanning tunnelling and atomic force microscopy Stetsovych, Oleksandr; Todorović, Milica; Shimizu, Tomoko K. Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms8265	journal	June 2015
Ideal gas thermodynamic properties of methanoic and ethanoic acids Chao, Jing; Zwolinski, Bruno J. Journal of Physical and Chemical Reference Data, Vol. 7, Issue 1 https://doi.org/10.1063/1.555571	journal	January 1978
Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional Sun, Jianwei; Remsing, Richard C.; Zhang, Yubo Nature Chemistry, Vol. 8, Issue 9 https://doi.org/10.1038/nchem.2535	journal	June 2016
The Case of Formic Acid on Anatase TiO ₂ (101): Where is the Acid Proton? Tabacchi, Gloria; Fabbiani, Marco; Mino, Lorenzo Angewandte Chemie International Edition, Vol. 58, Issue 36 https://doi.org/10.1002/anie.201906709	journal	September 2019
Co-adsorption of oxygen and formic acid on rutile TiO 2 (110) studied by infrared reflection-absorption spectroscopy Mattsson, Andreas; Österlund, Lars Surface Science, Vol. 663 https://doi.org/10.1016/j.susc.2017.04.012	journal	September 2017
Infrared spectroscopy study of adsorption and photodecomposition of formic acid on reduced and defective rutile TiO ₂ (110) surfaces Mattsson, Andreas; Hu, Shuanglin; Hermansson, Kersti Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, Vol. 32, Issue 6 https://doi.org/10.1116/1.4898568	journal	November 2014
Fourier Transform Reflection−Absorption IR Spectroscopy Study of Formate Adsorption on TiO ₂ (110) Hayden, Brian E.; King, Alex; Newton, Mark A. The Journal of Physical Chemistry B, Vol. 103, Issue 1 https://doi.org/10.1021/jp983581b	journal	January 1999
Effect of water on formic acid photocatalytic decomposition on TiO2 and Pt/TiO2 Miller, Kristi L.; Lee, Chul Woo; Falconer, John L. Journal of Catalysis, Vol. 275, Issue 2 https://doi.org/10.1016/j.jcat.2010.08.011	journal	October 2010
Formation of Metastable Water Chains on Anatase TiO ₂ (101) Dahal, Arjun; Dohnálek, Zdenek The Journal of Physical Chemistry C, Vol. 121, Issue 37 https://doi.org/10.1021/acs.jpcc.7b08122	journal	September 2017
Adsorption and Reaction of Methanol on Anatase TiO ₂ (101) Single Crystals and Faceted Nanoparticles Dahal, Arjun; Petrik, Nikolay G.; Wu, Yiqing The Journal of Physical Chemistry C, Vol. 123, Issue 39 https://doi.org/10.1021/acs.jpcc.9b07080	journal	September 2019
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
How Oxygen Vacancies Activate CO ₂ Dissociation on TiO ₂ Anatase (001) Huygh, Stijn; Bogaerts, Annemie; Neyts, Erik C. The Journal of Physical Chemistry C, Vol. 120, Issue 38 https://doi.org/10.1021/acs.jpcc.6b07459	journal	September 2016
Interplay between Methanol and Anatase TiO ₂ (101) Surface: The Effect of Subsurface Oxygen Vacancy Lang, Xiufeng; Liang, Yanhong; Sun, Linlin The Journal of Physical Chemistry C, Vol. 121, Issue 11 https://doi.org/10.1021/acs.jpcc.6b11356	journal	March 2017
Water as a Catalyst: Imaging Reactions of O ₂ with Partially and Fully Hydroxylated TiO ₂ (110) Surfaces Zhang, Zhenrong; Du, Yingge; Petrik, Nikolay G. The Journal of Physical Chemistry C, Vol. 113, Issue 5 https://doi.org/10.1021/jp809001x	journal	January 2009
Hydrogen Bonding, H-D Exchange, and Molecular Mobility in Thin Water Films on ${TiO}_{2} (110)$ Petrik, Nikolay G.; Kimmel, Greg A. Physical Review Letters, Vol. 99, Issue 19 https://doi.org/10.1103/PhysRevLett.99.196103	journal	November 2007

Similar Records

Binding of Formic Acid on Anatase TiO₂(101)

Journal Article · Fri Aug 14 00:00:00 EDT 2020 · Journal of Physical Chemistry. C · OSTI ID:1701727

Wang, Yang; Wen, Bo; Dahal, Arjun; +5 more

Hydrogen Bonds and H₃O⁺ Formation at the Water Interface with Formic Acid Covered Anatase TiO₂

Journal Article · Mon Jul 19 00:00:00 EDT 2021 · Journal of Physical Chemistry Letters · OSTI ID:1701727

Wen, Bo; Selloni, Annabella

Impact of nonadiabatic charge transfer on the rate of redox chemistry of carbon oxides on rutile TiO2 (110) surface

Journal Article · Fri Mar 06 00:00:00 EST 2015 · ACS Catalysis, 5(3):1764-1771 · OSTI ID:1701727

Yoon, Yeohoon; Wang, Yanggang; Rousseau, Roger J.; +1 more

Title: Binding of Formic Acid on Anatase TiO2(101)

Citation Formats

References (72)

Similar Records

Related Subjects