DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Characterizing electronic and atomic structures for amorphous and molecular metal oxide catalysts at functional interfaces by combining soft X-ray spectroscopy and high-energy X-ray scattering

Abstract

Amorphous thin film materials and heterogenized molecular catalysts supported on electrode and other functional interfaces are widely investigated as promising catalyst formats for applications in solar and electrochemical fuels catalysis. However the amorphous character of these catalysts and the complexity of the interfacial architectures that merge charge transport properties of electrode and semiconductor supports with discrete sites for multi-step catalysis poses challenges for probing mechanisms that activate and tune sites for catalysis. This minireview discusses advances in soft X-ray spectroscopy and high-energy X-ray scattering that provide opportunities to resolve interfacial electronic and atomic structures, respectively, that are linked to catalysis. This review discusses how these techniques can be partnered with advances in nanostructured interface synthesis for combined soft X-ray spectroscopy and high-energy X-ray scattering analyses of thin film and heterogenized molecular catalysts. Further, these combined approaches enable opportunities for the characterization of both electronic and atomic structures underlying fundamental catalytic function, and that can be applied under conditions relevant to device applications.

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]
  1. Argonne National Lab. (ANL), Lemont, IL (United States)
  2. Brookhaven National Lab. (BNL), Upton, NY (United States). National Synchrotron Light Source II (NSLS-II)
Publication Date:
Research Org.:
Brookhaven National Laboratory (BNL), Upton, NY (United States). National Synchrotron Light Source II (NSLS-II); Energy Frontier Research Centers (EFRC) (United States). Advanced Materials for Energy-Water Systems (AMEWS) Center; Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division
OSTI Identifier:
1644008
Alternate Identifier(s):
OSTI ID: 1634154; OSTI ID: 1660550
Report Number(s):
BNL-216216-2020-JAAM
Journal ID: ISSN 2040-3364
Grant/Contract Number:  
SC0012704; AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Nanoscale
Additional Journal Information:
Journal Volume: 12; Journal Issue: 25; Journal ID: ISSN 2040-3364
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
14 SOLAR ENERGY

Citation Formats

Tiede, David M., Kwon, Gihan, He, Xiang, Mulfort, Karen L., and Martinson, Alex B. F. Characterizing electronic and atomic structures for amorphous and molecular metal oxide catalysts at functional interfaces by combining soft X-ray spectroscopy and high-energy X-ray scattering. United States: N. p., 2020. Web. doi:10.1039/d0nr02350g.
Tiede, David M., Kwon, Gihan, He, Xiang, Mulfort, Karen L., & Martinson, Alex B. F. Characterizing electronic and atomic structures for amorphous and molecular metal oxide catalysts at functional interfaces by combining soft X-ray spectroscopy and high-energy X-ray scattering. United States. https://doi.org/10.1039/d0nr02350g
Tiede, David M., Kwon, Gihan, He, Xiang, Mulfort, Karen L., and Martinson, Alex B. F. Mon . "Characterizing electronic and atomic structures for amorphous and molecular metal oxide catalysts at functional interfaces by combining soft X-ray spectroscopy and high-energy X-ray scattering". United States. https://doi.org/10.1039/d0nr02350g. https://www.osti.gov/servlets/purl/1644008.
@article{osti_1644008,
title = {Characterizing electronic and atomic structures for amorphous and molecular metal oxide catalysts at functional interfaces by combining soft X-ray spectroscopy and high-energy X-ray scattering},
author = {Tiede, David M. and Kwon, Gihan and He, Xiang and Mulfort, Karen L. and Martinson, Alex B. F.},
abstractNote = {Amorphous thin film materials and heterogenized molecular catalysts supported on electrode and other functional interfaces are widely investigated as promising catalyst formats for applications in solar and electrochemical fuels catalysis. However the amorphous character of these catalysts and the complexity of the interfacial architectures that merge charge transport properties of electrode and semiconductor supports with discrete sites for multi-step catalysis poses challenges for probing mechanisms that activate and tune sites for catalysis. This minireview discusses advances in soft X-ray spectroscopy and high-energy X-ray scattering that provide opportunities to resolve interfacial electronic and atomic structures, respectively, that are linked to catalysis. This review discusses how these techniques can be partnered with advances in nanostructured interface synthesis for combined soft X-ray spectroscopy and high-energy X-ray scattering analyses of thin film and heterogenized molecular catalysts. Further, these combined approaches enable opportunities for the characterization of both electronic and atomic structures underlying fundamental catalytic function, and that can be applied under conditions relevant to device applications.},
doi = {10.1039/d0nr02350g},
journal = {Nanoscale},
number = 25,
volume = 12,
place = {United States},
year = {Mon Jun 22 00:00:00 EDT 2020},
month = {Mon Jun 22 00:00:00 EDT 2020}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 10 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

“Inverting” X-ray Absorption Spectra of Catalysts by Machine Learning in Search for Activity Descriptors
journal, September 2019


Imaging ultrafast excited state pathways in transition metal complexes by X-ray transient absorption and scattering using X-ray free electron laser source
journal, January 2016

  • Chen, Lin X.; Shelby, Megan L.; Lestrange, Patrick J.
  • Faraday Discussions, Vol. 194
  • DOI: 10.1039/C6FD00083E

EPR Evidence for Co(IV) Species Produced During Water Oxidation at Neutral pH
journal, May 2010

  • McAlpin, J. Gregory; Surendranath, Yogesh; Dincǎ, Mircea
  • Journal of the American Chemical Society, Vol. 132, Issue 20
  • DOI: 10.1021/ja1013344

Catalytic Oxygen Evolution by Cobalt Oxido Thin Films
book, January 2015

  • Bediako, D. Kwabena; Ullman, Andrew M.; Nocera, Daniel G.
  • Topics in Current Chemistry
  • DOI: 10.1007/128_2015_649

Oxyanion induced variations in domain structure for amorphous cobalt oxide oxygen evolving catalysts, resolved by X-ray pair distribution function analysis
journal, December 2015

  • Kwon, Gihan; Kokhan, Oleksandr; Han, Ali
  • Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, Vol. 71, Issue 6
  • DOI: 10.1107/S2052520615022180

Reversible amorphization and the catalytically active state of crystalline Co3O4 during oxygen evolution
journal, October 2015

  • Bergmann, Arno; Martinez-Moreno, Elias; Teschner, Detre
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms9625

A Review of High-Energy X-Ray Diffraction from Glasses and Liquids
journal, January 2012


Surface Modification of Hematite Photoanodes for Improvement of Photoelectrochemical Performance
journal, October 2018


Redox Activity of Oxo-Bridged Iridium Dimers in an N,O-Donor Environment: Characterization of Remarkably Stable Ir(IV,V) Complexes
journal, July 2017

  • Sinha, Shashi Bhushan; Shopov, Dimitar Y.; Sharninghausen, Liam S.
  • Journal of the American Chemical Society, Vol. 139, Issue 28
  • DOI: 10.1021/jacs.7b04874

In Situ X-ray Absorption Near-Edge Structure Study of Advanced NiFe(OH) x Electrocatalyst on Carbon Paper for Water Oxidation
journal, August 2015

  • Wang, Dongniu; Zhou, Jigang; Hu, Yongfeng
  • The Journal of Physical Chemistry C, Vol. 119, Issue 34
  • DOI: 10.1021/acs.jpcc.5b02685

An Operando Investigation of (Ni–Fe–Co–Ce)O x System as Highly Efficient Electrocatalyst for Oxygen Evolution Reaction
journal, January 2017


Operando soft x-ray emission spectroscopy of LiMn2O4 thin film involving Li–ion extraction/insertion reaction
journal, January 2015


Roadmap of ultrafast x-ray atomic and molecular physics
journal, January 2018

  • Young, Linda; Ueda, Kiyoshi; Gühr, Markus
  • Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 51, Issue 3
  • DOI: 10.1088/1361-6455/aa9735

Thin film photoelectrodes for solar water splitting
journal, January 2019

  • He, Yumin; Hamann, Thomas; Wang, Dunwei
  • Chemical Society Reviews, Vol. 48, Issue 7
  • DOI: 10.1039/C8CS00868J

The Formation Time of Ti–O and Ti–O –Ti Radicals at the n-SrTiO 3 /Aqueous Interface during Photocatalytic Water Oxidation
journal, December 2016

  • Chen, Xihan; Choing, Stephanie N.; Aschaffenburg, Daniel J.
  • Journal of the American Chemical Society, Vol. 139, Issue 5
  • DOI: 10.1021/jacs.6b09550

In situ X-ray absorption spectroscopy of transition metal based water oxidation catalysts
journal, January 2017

  • van Oversteeg, Christina H. M.; Doan, Hoang Q.; de Groot, Frank M. F.
  • Chemical Society Reviews, Vol. 46, Issue 1
  • DOI: 10.1039/C6CS00230G

Transient metal-centered states mediate isomerization of a photochromic ruthenium-sulfoxide complex
journal, May 2018


In situ observation of reactive oxygen species forming on oxygen-evolving iridium surfaces
journal, January 2017

  • Pfeifer, Verena; Jones, Travis E.; Velasco Vélez, Juan J.
  • Chemical Science, Vol. 8, Issue 3
  • DOI: 10.1039/C6SC04622C

Characterization of an Amorphous Iridium Water-Oxidation Catalyst Electrodeposited from Organometallic Precursors
journal, January 2013

  • Blakemore, James D.; Mara, Michael W.; Kushner-Lenhoff, Maxwell N.
  • Inorganic Chemistry, Vol. 52, Issue 4
  • DOI: 10.1021/ic301968j

Highly active cobalt phosphate and borate based oxygen evolving catalysts operating in neutral and natural waters
journal, January 2011

  • Esswein, Arthur J.; Surendranath, Yogesh; Reece, Steven Y.
  • Energy Environ. Sci., Vol. 4, Issue 2
  • DOI: 10.1039/C0EE00518E

Reactivity of Surface Species in Heterogeneous Catalysts Probed by In Situ X-ray Absorption Techniques
journal, February 2013

  • Bordiga, Silvia; Groppo, Elena; Agostini, Giovanni
  • Chemical Reviews, Vol. 113, Issue 3
  • DOI: 10.1021/cr2000898

Advancing the Electrochemistry of the Hydrogen-Evolution Reaction through Combining Experiment and Theory
journal, November 2014

  • Zheng, Yao; Jiao, Yan; Jaroniec, Mietek
  • Angewandte Chemie International Edition, Vol. 54, Issue 1
  • DOI: 10.1002/anie.201407031

Attachment of Protoporphyrin Dyes to Nanostructured ZnO Surfaces: Characterization by Near Edge X-ray Absorption Fine Structure Spectroscopy
journal, August 2011

  • González-Moreno, Rubén; Cook, Peter L.; Zegkinoglou, Ioannis
  • The Journal of Physical Chemistry C, Vol. 115, Issue 37
  • DOI: 10.1021/jp203590p

EPR Spectroscopy of Iron- and Nickel-Doped [ZnAl]-Layered Double Hydroxides: Modeling Active Sites in Heterogeneous Water Oxidation Catalysts
journal, December 2019

  • Sayler, Richard I.; Hunter, Bryan M.; Fu, Wen
  • Journal of the American Chemical Society, Vol. 142, Issue 4
  • DOI: 10.1021/jacs.9b10273

Heterogeneous Water Oxidation: Surface Activity versus Amorphization Activation in Cobalt Phosphate Catalysts
journal, January 2015

  • González-Flores, Diego; Sánchez, Irene; Zaharieva, Ivelina
  • Angewandte Chemie International Edition, Vol. 54, Issue 8
  • DOI: 10.1002/anie.201409333

High-energy x-ray diffraction study of pure amorphous silicon
journal, November 1999


Proton–Electron Transport and Transfer in Electrocatalytic Films. Application to a Cobalt-Based O 2 -Evolution Catalyst
journal, May 2013

  • Bediako, D. Kwabena; Costentin, Cyrille; Jones, Evan C.
  • Journal of the American Chemical Society, Vol. 135, Issue 28
  • DOI: 10.1021/ja403656w

Stable iridium dinuclear heterogeneous catalysts supported on metal-oxide substrate for solar water oxidation
journal, March 2018

  • Zhao, Yanyan; Yang, Ke R.; Wang, Zechao
  • Proceedings of the National Academy of Sciences, Vol. 115, Issue 12
  • DOI: 10.1073/pnas.1722137115

Metal oxidation states in biological water splitting
journal, January 2015

  • Krewald, Vera; Retegan, Marius; Cox, Nicholas
  • Chemical Science, Vol. 6, Issue 3
  • DOI: 10.1039/C4SC03720K

Density functional theory in surface chemistry and catalysis
journal, January 2011

  • Norskov, J. K.; Abild-Pedersen, F.; Studt, F.
  • Proceedings of the National Academy of Sciences, Vol. 108, Issue 3
  • DOI: 10.1073/pnas.1006652108

Solar Energy Supply and Storage for the Legacy and Nonlegacy Worlds
journal, November 2010

  • Cook, Timothy R.; Dogutan, Dilek K.; Reece, Steven Y.
  • Chemical Reviews, Vol. 110, Issue 11
  • DOI: 10.1021/cr100246c

High-Resolution X-ray Emission and X-ray Absorption Spectroscopy
journal, June 2001


A Perovskite Oxide Optimized for Oxygen Evolution Catalysis from Molecular Orbital Principles
journal, October 2011


Unified structural motifs of the catalytically active state of Co(oxyhydr)oxides during the electrochemical oxygen evolution reaction
journal, September 2018


Detecting the oxyl radical of photocatalytic water oxidation at an n-SrTiO3/aqueous interface through its subsurface vibration
journal, April 2016

  • Herlihy, David M.; Waegele, Matthias M.; Chen, Xihan
  • Nature Chemistry, Vol. 8, Issue 6
  • DOI: 10.1038/nchem.2497

Electronic, mechanistic, and structural factors that influence the performance of molecular water oxidation catalysts anchored on electrode surfaces
journal, June 2019

  • Garrido-Barros, Pablo; Matheu, Roc; Gimbert-Suriñach, Carolina
  • Current Opinion in Electrochemistry, Vol. 15
  • DOI: 10.1016/j.coelec.2019.04.027

XFELs: cutting edge X-ray light for chemical and material sciences
journal, January 2020

  • Asakura, Kiyotaka; Gaffney, Kelly J.; Milne, Christopher
  • Physical Chemistry Chemical Physics, Vol. 22, Issue 5
  • DOI: 10.1039/C9CP90304F

Hierarchical Inorganic Assemblies for Artificial Photosynthesis
journal, August 2016


The rise of the X-ray atomic pair distribution function method: a series of fortunate events
journal, April 2019

  • Billinge, Simon J. L.
  • Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 377, Issue 2147
  • DOI: 10.1098/rsta.2018.0413

Structure and Valency of a Cobalt−Phosphate Water Oxidation Catalyst Determined by in Situ X-ray Spectroscopy
journal, October 2010

  • Kanan, Matthew W.; Yano, Junko; Surendranath, Yogesh
  • Journal of the American Chemical Society, Vol. 132, Issue 39
  • DOI: 10.1021/ja1023767

Probing the Electron Accepting Orbitals of Ni-Centered Hydrogen Evolution Catalysts with Noninnocent Ligands by Ni L-Edge and S K-Edge X-ray Absorption
journal, October 2018


Stimulated X-Ray Emission Spectroscopy in Transition Metal Complexes
journal, March 2018


XANES and EXAFS of dilute solutions of transition metals at XFELs
journal, August 2019

  • Chatterjee, Ruchira; Weninger, Clemens; Loukianov, Anton
  • Journal of Synchrotron Radiation, Vol. 26, Issue 5
  • DOI: 10.1107/S1600577519007550

Wireless Solar Water Splitting Using Silicon-Based Semiconductors and Earth-Abundant Catalysts
journal, September 2011


Water Oxidation by Amorphous Cobalt-Based Oxides: Volume Activity and Proton Transfer to Electrolyte Bases
journal, January 2014

  • Klingan, Katharina; Ringleb, Franziska; Zaharieva, Ivelina
  • ChemSusChem, Vol. 7, Issue 5
  • DOI: 10.1002/cssc.201301019

Molecular artificial photosynthesis
journal, January 2014

  • Berardi, Serena; Drouet, Samuel; Francàs, Laia
  • Chem. Soc. Rev., Vol. 43, Issue 22
  • DOI: 10.1039/C3CS60405E

Co 3 O 4 -Decorated Hematite Nanorods As an Effective Photoanode for Solar Water Oxidation
journal, June 2012

  • Xi, Lifei; Tran, Phong D.; Chiam, Sing Yang
  • The Journal of Physical Chemistry C, Vol. 116, Issue 26
  • DOI: 10.1021/jp304285r

Perspective—Outlook on Operando Photoelectron and Absorption Spectroscopy to Probe Catalysts at the Solid-Liquid Electrochemical Interface
journal, January 2020

  • Carbonio, Emilia A.; Velasco-Velez, Juan-Jesus; Schlögl, Robert
  • Journal of The Electrochemical Society, Vol. 167, Issue 5
  • DOI: 10.1149/1945-7111/ab68d2

Mechanistic Studies of the Oxygen Evolution Reaction by a Cobalt-Phosphate Catalyst at Neutral pH
journal, November 2010

  • Surendranath, Yogesh; Kanan, Matthew W.; Nocera, Daniel G.
  • Journal of the American Chemical Society, Vol. 132, Issue 46
  • DOI: 10.1021/ja106102b

Finding intersections between electronic excited state potential energy surfaces with simultaneous ultrafast X-ray scattering and spectroscopy
journal, January 2019

  • Kjær, Kasper S.; Van Driel, Tim B.; Harlang, Tobias C. B.
  • Chemical Science, Vol. 10, Issue 22
  • DOI: 10.1039/C8SC04023K

Structural dynamics and activity of nanocatalysts inside fuel cells by in operando atomic pair distribution studies
journal, January 2016

  • Petkov, Valeri; Prasai, Binay; Shan, Shiyao
  • Nanoscale, Vol. 8, Issue 20
  • DOI: 10.1039/C6NR01112H

In-situ/operando soft x-ray spectroscopy characterization of energy and catalytic materials
journal, May 2020


Resolution of Electronic and Structural Factors Underlying Oxygen-Evolving Performance in Amorphous Cobalt Oxide Catalysts
journal, July 2018

  • Kwon, Gihan; Jang, Hoyoung; Lee, Jun-Sik
  • Journal of the American Chemical Society, Vol. 140, Issue 34
  • DOI: 10.1021/jacs.8b02719

Electrolyte-Dependent Electrosynthesis and Activity of Cobalt-Based Water Oxidation Catalysts
journal, February 2009

  • Surendranath, Yogesh; Dincǎ, Mircea; Nocera, Daniel G.
  • Journal of the American Chemical Society, Vol. 131, Issue 7
  • DOI: 10.1021/ja807769r

Chemical effects at metal/oxide interfaces studied by x-ray-absorption spectroscopy
journal, November 2001


Resonant inelastic X-ray scattering (RIXS) spectroscopy at the Mn K absorption pre-edge—a direct probe of the 3d orbitals
journal, December 2005

  • Glatzel, Pieter; Yano, Junko; Bergmann, Uwe
  • Journal of Physics and Chemistry of Solids, Vol. 66, Issue 12
  • DOI: 10.1016/j.jpcs.2005.09.012

Amorphous FeOOH Oxygen Evolution Reaction Catalyst for Photoelectrochemical Water Splitting
journal, February 2014

  • Chemelewski, William D.; Lee, Heung-Chan; Lin, Jung-Fu
  • Journal of the American Chemical Society, Vol. 136, Issue 7
  • DOI: 10.1021/ja411835a

Nucleation, Growth, and Repair of a Cobalt-Based Oxygen Evolving Catalyst
journal, March 2012

  • Surendranath, Yogesh; Lutterman, Daniel A.; Liu, Yi
  • Journal of the American Chemical Society, Vol. 134, Issue 14
  • DOI: 10.1021/ja3000084

Reactive Fe-Sites in Ni/Fe (Oxy)hydroxide Are Responsible for Exceptional Oxygen Electrocatalysis Activity
journal, August 2017

  • Stevens, Michaela Burke; Trang, Christina D. M.; Enman, Lisa J.
  • Journal of the American Chemical Society, Vol. 139, Issue 33
  • DOI: 10.1021/jacs.7b07117

Electrochemical Water Oxidation with Cobalt-Based Electrocatalysts from pH 0–14: The Thermodynamic Basis for Catalyst Structure, Stability, and Activity
journal, August 2011

  • Gerken, James B.; McAlpin, J. Gregory; Chen, Jamie Y. C.
  • Journal of the American Chemical Society, Vol. 133, Issue 36
  • DOI: 10.1021/ja205647m

Nickel–Iron Oxyhydroxide Oxygen-Evolution Electrocatalysts: The Role of Intentional and Incidental Iron Incorporation
journal, April 2014

  • Trotochaud, Lena; Young, Samantha L.; Ranney, James K.
  • Journal of the American Chemical Society, Vol. 136, Issue 18
  • DOI: 10.1021/ja502379c

Elucidating the Domain Structure of the Cobalt Oxide Water Splitting Catalyst by X-ray Pair Distribution Function Analysis
journal, June 2012

  • Du, Pingwu; Kokhan, Oleksandr; Chapman, Karena W.
  • Journal of the American Chemical Society, Vol. 134, Issue 27
  • DOI: 10.1021/ja303826a

Operando soft X-ray emission spectroscopy of the Fe 2 O 3 anode to observe the conversion reaction
journal, January 2019

  • Asakura, Daisuke; Nanba, Yusuke; Okubo, Masashi
  • Physical Chemistry Chemical Physics, Vol. 21, Issue 48
  • DOI: 10.1039/C9CP05036A

Comparison of heterogenized molecular and heterogeneous oxide catalysts for photoelectrochemical water oxidation
journal, January 2016

  • Li, Wei; He, Da; Sheehan, Stafford W.
  • Energy & Environmental Science, Vol. 9, Issue 5
  • DOI: 10.1039/C5EE03871E

Using “Tender” X-ray Ambient Pressure X-Ray Photoelectron Spectroscopy as A Direct Probe of Solid-Liquid Interface
journal, May 2015

  • Axnanda, Stephanus; Crumlin, Ethan J.; Mao, Baohua
  • Scientific Reports, Vol. 5, Issue 1
  • DOI: 10.1038/srep09788

Extracting Knowledge from Data through Catalysis Informatics
journal, June 2018


XAFS spectroscopy; fundamental principles and data analysis
journal, May 2000

  • Koningsberger, D. C.; Mojet, B. L.; van Dorssen, G. E.
  • Topics in Catalysis, Vol. 10, Issue 3/4, p. 143-155
  • DOI: 10.1023/A:1019105310221

Generation and characterization of ultrathin free-flowing liquid sheets
journal, April 2018


The AMPIX electrochemical cell: a versatile apparatus for in situ X-ray scattering and spectroscopic measurements
journal, November 2012

  • Borkiewicz, Olaf J.; Shyam, Badri; Wiaderek, Kamila M.
  • Journal of Applied Crystallography, Vol. 45, Issue 6
  • DOI: 10.1107/S0021889812042720

Photochemical Route for Accessing Amorphous Metal Oxide Materials for Water Oxidation Catalysis
journal, March 2013

  • Smith, Rodney D. L.; Prévot, Mathieu S.; Fagan, Randal D.
  • Science, Vol. 340, Issue 6128
  • DOI: 10.1126/science.1233638

Vibrational wavepacket dynamics in Fe carbene photosensitizer determined with femtosecond X-ray emission and scattering
journal, January 2020

  • Kunnus, Kristjan; Vacher, Morgane; Harlang, Tobias C. B.
  • Nature Communications, Vol. 11, Issue 1
  • DOI: 10.1038/s41467-020-14468-w

Elucidation of the Local and Long-Range Structural Changes that Occur in Germanium Anodes in Lithium-Ion Batteries
journal, January 2015

  • Jung, Hyeyoung; Allan, Phoebe K.; Hu, Yan-Yan
  • Chemistry of Materials, Vol. 27, Issue 3
  • DOI: 10.1021/cm504312x

Structures of the intermediates of Kok’s photosynthetic water oxidation clock
journal, November 2018


Artificial photosynthesis: opportunities and challenges of molecular catalysts
journal, January 2019

  • Zhang, Biaobiao; Sun, Licheng
  • Chemical Society Reviews, Vol. 48, Issue 7
  • DOI: 10.1039/C8CS00897C

Structural Characteristics and Eutaxy in the Photo-Deposited Amorphous Iron Oxide Oxygen Evolution Catalyst
journal, April 2015


Nanoscopic Patterned Materials with Tunable Dimensions via Atomic Layer Deposition on Block Copolymers
journal, September 2010

  • Peng, Qing; Tseng, Yu-Chih; Darling, Seth B.
  • Advanced Materials, Vol. 22, Issue 45, p. 5129-5133
  • DOI: 10.1002/adma.201002465

The Artificial Leaf
journal, January 2012

  • Nocera, Daniel G.
  • Accounts of Chemical Research, Vol. 45, Issue 5
  • DOI: 10.1021/ar2003013

On the chemical state of Co oxide electrocatalysts during alkaline water splitting
journal, January 2013

  • Friebel, Daniel; Bajdich, Michal; Yeo, Boon Siang
  • Physical Chemistry Chemical Physics, Vol. 15, Issue 40
  • DOI: 10.1039/c3cp52981a

Solution Structures of Highly Active Molecular Ir Water-Oxidation Catalysts from Density Functional Theory Combined with High-Energy X-ray Scattering and EXAFS Spectroscopy
journal, April 2016

  • Yang, Ke R.; Matula, Adam J.; Kwon, Gihan
  • Journal of the American Chemical Society, Vol. 138, Issue 17
  • DOI: 10.1021/jacs.6b01750

Unification of Catalytic Water Oxidation and Oxygen Reduction Reactions: Amorphous Beat Crystalline Cobalt Iron Oxides
journal, December 2014

  • Indra, Arindam; Menezes, Prashanth W.; Sahraie, Nastaran Ranjbar
  • Journal of the American Chemical Society, Vol. 136, Issue 50
  • DOI: 10.1021/ja509348t

Frontiers of water oxidation: the quest for true catalysts
journal, January 2017

  • Li, J.; Güttinger, R.; Moré, R.
  • Chemical Society Reviews, Vol. 46, Issue 20
  • DOI: 10.1039/C7CS00306D

Oxygen-Containing Functional Groups on Single-Wall Carbon Nanotubes:  NEXAFS and Vibrational Spectroscopic Studies
journal, October 2001

  • Kuznetsova, Anya; Popova, Irene; Yates, John T.
  • Journal of the American Chemical Society, Vol. 123, Issue 43
  • DOI: 10.1021/ja011021b

Multiplet effects in X-ray spectroscopy
journal, January 2005


Estimating Hybridization of Transition Metal and Oxygen States in Perovskites from O K -edge X-ray Absorption Spectroscopy
journal, January 2014

  • Suntivich, Jin; Hong, Wesley T.; Lee, Yueh-Lin
  • The Journal of Physical Chemistry C, Vol. 118, Issue 4
  • DOI: 10.1021/jp410644j

The chemical physics of sequential infiltration synthesis—A thermodynamic and kinetic perspective
journal, November 2019

  • Waldman, Ruben Z.; Mandia, David J.; Yanguas-Gil, Angel
  • The Journal of Chemical Physics, Vol. 151, Issue 19
  • DOI: 10.1063/1.5128108

Chemical interactions and dynamics with femtosecond X-ray spectroscopy and the role of X-ray free-electron lasers
journal, April 2019

  • Wernet, Philippe
  • Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 377, Issue 2145
  • DOI: 10.1098/rsta.2017.0464

Transient absorption spectroscopy using high harmonic generation: a review of ultrafast X-ray dynamics in molecules and solids
journal, April 2019

  • Geneaux, Romain; Marroux, Hugo J. B.; Guggenmos, Alexander
  • Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 377, Issue 2145
  • DOI: 10.1098/rsta.2017.0463

Nickel-borate oxygen-evolving catalyst that functions under benign conditions
journal, May 2010

  • Dinca, M.; Surendranath, Y.; Nocera, D. G.
  • Proceedings of the National Academy of Sciences, Vol. 107, Issue 23
  • DOI: 10.1073/pnas.1001859107

Time-resolved observations of water oxidation intermediates on a cobalt oxide nanoparticle catalyst
journal, February 2014

  • Zhang, Miao; de Respinis, Moreno; Frei, Heinz
  • Nature Chemistry, Vol. 6, Issue 4
  • DOI: 10.1038/nchem.1874

Assessment of the manganese cluster’s oxidation state via photoactivation of photosystem II microcrystals
journal, December 2019

  • Cheah, Mun Hon; Zhang, Miao; Shevela, Dmitry
  • Proceedings of the National Academy of Sciences, Vol. 117, Issue 1
  • DOI: 10.1073/pnas.1915879117

Highly Localized Charge Transfer Excitons in Metal Oxide Semiconductors
journal, January 2018


X-ray Spectroscopic Interrogation of Transition-Metal-Mediated Homogeneous Catalysis: Primer and Case Studies
journal, February 2017


Uncovering The Role of Oxygen in Ni-Fe(OxHy) Electrocatalysts using In situ Soft X-ray Absorption Spectroscopy during the Oxygen Evolution Reaction
journal, February 2019


Operando Surface X-ray Diffraction Studies of Structurally Defined Co 3 O 4 and CoOOH Thin Films during Oxygen Evolution
journal, March 2019


Resonant inelastic x-ray scattering studies of elementary excitations
journal, June 2011

  • Ament, Luuk J. P.; van Veenendaal, Michel; Devereaux, Thomas P.
  • Reviews of Modern Physics, Vol. 83, Issue 2
  • DOI: 10.1103/RevModPhys.83.705

Water Oxidation by Electrodeposited Cobalt Oxides-Role of Anions and Redox-Inert Cations in Structure and Function of the Amorphous Catalyst
journal, February 2012

  • Risch, Marcel; Klingan, Katharina; Ringleb, Franziska
  • ChemSusChem, Vol. 5, Issue 3
  • DOI: 10.1002/cssc.201100574

An ultra-high vacuum electrochemical flow cell for in situ / operando soft X-ray spectroscopy study
journal, April 2014

  • Bora, Debajeet K.; Glans, Per-Anders; Pepper, John
  • Review of Scientific Instruments, Vol. 85, Issue 4
  • DOI: 10.1063/1.4870795

In Situ Electrochemical Cells to Study the Oxygen Evolution Reaction by Near Ambient Pressure X-ray Photoelectron Spectroscopy
journal, October 2018


Ternary Ni-Co-Fe oxyhydroxide oxygen evolution catalysts: Intrinsic activity trends, electrical conductivity, and electronic band structure
journal, April 2019

  • Stevens, Michaela Burke; Enman, Lisa J.; Korkus, Ester Hamal
  • Nano Research, Vol. 12, Issue 9
  • DOI: 10.1007/s12274-019-2391-y

Solvent-dependent complex reaction pathways of bromoform revealed by time-resolved X-ray solution scattering and X-ray transient absorption spectroscopy
journal, November 2019

  • Kong, Qingyu; Khakhulin, Dmitry; Shkrob, Ilya A.
  • Structural Dynamics, Vol. 6, Issue 6
  • DOI: 10.1063/1.5132968

Soft x-ray absorption spectroscopy of metalloproteins and high-valent metal-complexes at room temperature using free-electron lasers
journal, September 2017

  • Kubin, Markus; Kern, Jan; Gul, Sheraz
  • Structural Dynamics, Vol. 4, Issue 5
  • DOI: 10.1063/1.4986627

Characterizing the Three-Dimensional Structure of Block Copolymers via Sequential Infiltration Synthesis and Scanning Transmission Electron Tomography
journal, May 2015

  • Segal-Peretz, Tamar; Winterstein, Jonathan; Doxastakis, Manolis
  • ACS Nano, Vol. 9, Issue 5
  • DOI: 10.1021/acsnano.5b01013

Ultrafast time-resolved x-ray scattering reveals diffusive charge order dynamics in La 2– x Ba x CuO 4
journal, August 2019


Best Practices for Operando Battery Experiments: Influences of X-ray Experiment Design on Observed Electrochemical Reactivity
journal, May 2015

  • Borkiewicz, Olaf J.; Wiaderek, Kamila M.; Chupas, Peter J.
  • The Journal of Physical Chemistry Letters, Vol. 6, Issue 11
  • DOI: 10.1021/acs.jpclett.5b00891

Structure–function analyses of solar fuelscatalysts using in situ X-ray scattering
journal, January 2013

  • Mulfort, Karen L.; Mukherjee, Anusree; Kokhan, Oleksandr
  • Chem. Soc. Rev., Vol. 42, Issue 6
  • DOI: 10.1039/C2CS35247H

Operando X-ray absorption spectroscopy: A powerful tool toward water splitting catalyst development
journal, October 2017

  • Fabbri, Emiliana; Abbott, Daniel F.; Nachtegaal, Maarten
  • Current Opinion in Electrochemistry, Vol. 5, Issue 1
  • DOI: 10.1016/j.coelec.2017.08.009

Soft-x-ray spectroscopy experiment of liquids
journal, July 2007

  • Guo, Jinghua; Tong, Tyler; Svec, Lukas
  • Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, Vol. 25, Issue 4
  • DOI: 10.1116/1.2747620

Microfluidic electrochemical cell for in situ structural characterization of amorphous thin-film catalysts using high-energy X-ray scattering
journal, August 2019


Emerging approaches to stabilise photocorrodible electrodes and catalysts for solar fuel applications
journal, January 2017

  • Crespo-Quesada, Micaela; Reisner, Erwin
  • Energy & Environmental Science, Vol. 10, Issue 5
  • DOI: 10.1039/C7EE00777A

Water oxidation using earth-abundant transition metal catalysts: opportunities and challenges
journal, January 2016

  • Kärkäs, Markus D.; Åkermark, Björn
  • Dalton Transactions, Vol. 45, Issue 37
  • DOI: 10.1039/C6DT00809G

Understanding the Oxygen Evolution Reaction Mechanism on CoO x using Operando Ambient-Pressure X-ray Photoelectron Spectroscopy
journal, June 2017

  • Favaro, Marco; Yang, Jinhui; Nappini, Silvia
  • Journal of the American Chemical Society, Vol. 139, Issue 26
  • DOI: 10.1021/jacs.7b03211

In Situ X-ray Absorption Spectroscopy Investigation of a Bifunctional Manganese Oxide Catalyst with High Activity for Electrochemical Water Oxidation and Oxygen Reduction
journal, June 2013

  • Gorlin, Yelena; Lassalle-Kaiser, Benedikt; Benck, Jesse D.
  • Journal of the American Chemical Society, Vol. 135, Issue 23
  • DOI: 10.1021/ja3104632

Water oxidation by amorphous cobalt-based oxides: in situ tracking of redox transitions and mode of catalysis
journal, January 2015

  • Risch, Marcel; Ringleb, Franziska; Kohlhoff, Mike
  • Energy & Environmental Science, Vol. 8, Issue 2
  • DOI: 10.1039/C4EE03004D

The Key Ru V =O Intermediate of Site-Isolated Mononuclear Water Oxidation Catalyst Detected by in Situ X-ray Absorption Spectroscopy
journal, December 2017

  • Lebedev, Dmitry; Pineda-Galvan, Yuliana; Tokimaru, Yuki
  • Journal of the American Chemical Society, Vol. 140, Issue 1
  • DOI: 10.1021/jacs.7b11388

Reaction Pathways for Oxygen Evolution Promoted by Cobalt Catalyst
journal, October 2013

  • Mattioli, Giuseppe; Giannozzi, Paolo; Amore Bonapasta, Aldo
  • Journal of the American Chemical Society, Vol. 135, Issue 41
  • DOI: 10.1021/ja401797v

Potential for biomolecular imaging with femtosecond X-ray pulses
journal, August 2000

  • Neutze, Richard; Wouts, Remco; van der Spoel, David
  • Nature, Vol. 406, Issue 6797
  • DOI: 10.1038/35021099

Oxygen 1 s x-ray-absorption edges of transition-metal oxides
journal, September 1989


Activating lattice oxygen redox reactions in metal oxides to catalyse oxygen evolution
journal, January 2017

  • Grimaud, Alexis; Diaz-Morales, Oscar; Han, Binghong
  • Nature Chemistry, Vol. 9, Issue 5
  • DOI: 10.1038/nchem.2695

A Place in the Sun for Artificial Photosynthesis?
journal, May 2016


A molecular catalyst for water oxidation that binds to metal oxide surfaces
journal, March 2015

  • Sheehan, Stafford W.; Thomsen, Julianne M.; Hintermair, Ulrich
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms7469

Comprehensive Insights into the Structural and Chemical Changes in Mixed-Anion FeOF Electrodes by Using Operando PDF and NMR Spectroscopy
journal, March 2013

  • Wiaderek, Kamila M.; Borkiewicz, Olaf J.; Castillo-Martínez, Elizabeth
  • Journal of the American Chemical Society, Vol. 135, Issue 10
  • DOI: 10.1021/ja400229v

H/D Isotope Effects Reveal Factors Controlling Catalytic Activity in Co-Based Oxides for Water Oxidation
journal, January 2019

  • Pasquini, Chiara; Zaharieva, Ivelina; González-Flores, Diego
  • Journal of the American Chemical Society, Vol. 141, Issue 7
  • DOI: 10.1021/jacs.8b10002

Mechanisms of molecular water oxidation in solution and on oxide surfaces
journal, January 2017

  • Meyer, Thomas J.; Sheridan, Matthew V.; Sherman, Benjamin D.
  • Chemical Society Reviews, Vol. 46, Issue 20
  • DOI: 10.1039/C7CS00465F

Direct observation of the electronic states of photoexcited hematite with ultrafast 2p3d X-ray absorption spectroscopy and resonant inelastic X-ray scattering
journal, January 2020

  • Ismail, Ahmed S. M.; Uemura, Yohei; Park, Sang Han
  • Physical Chemistry Chemical Physics, Vol. 22, Issue 5
  • DOI: 10.1039/C9CP03374B

In situ electrochemical high-energy X-ray diffraction using a capillary working electrode cell geometry
journal, May 2017

  • Young, Matthias J.; Bedford, Nicholas M.; Jiang, Naisheng
  • Journal of Synchrotron Radiation, Vol. 24, Issue 4
  • DOI: 10.1107/S1600577517006282

Photoinduced Structural Dynamics of Molecular Systems Mapped by Time-Resolved X-ray Methods
journal, May 2017


Domain structure for an amorphous iridium-oxide water-oxidation catalyst characterized by X-ray pair distribution function analysis
journal, January 2014

  • Huang, Jier; Blakemore, James D.; Fazi, Diego
  • Phys. Chem. Chem. Phys., Vol. 16, Issue 5
  • DOI: 10.1039/C3CP54878C

Probing Edge Site Reactivity of Oxidic Cobalt Water Oxidation Catalysts
journal, March 2016

  • Ullman, Andrew M.; Brodsky, Casey N.; Li, Nancy
  • Journal of the American Chemical Society, Vol. 138, Issue 12
  • DOI: 10.1021/jacs.6b00762

Nanostructure by high-energy X-ray diffraction
journal, November 2008


Transition Metal Oxides as Electrocatalysts for the Oxygen Evolution Reaction in Alkaline Solutions: An Application-Inspired Renaissance
journal, May 2018

  • Song, Fang; Bai, Lichen; Moysiadou, Aliki
  • Journal of the American Chemical Society, Vol. 140, Issue 25
  • DOI: 10.1021/jacs.8b04546

1s3p Resonant Inelastic X-ray Scattering of Cobalt Oxides and Sulfides
journal, October 2016

  • Al Samarai, Mustafa; Delgado-Jaime, Mario Ulises; Ishii, Hirofumi
  • The Journal of Physical Chemistry C, Vol. 120, Issue 42
  • DOI: 10.1021/acs.jpcc.6b06444

Water splitting dye-sensitized solar cells
journal, June 2017


Transition metal doping effects in Co-phosphate catalysts for water splitting studied with XAS
journal, April 2018


The ultrafast X-ray spectroscopic revolution in chemical dynamics
journal, May 2018

  • Kraus, Peter M.; Zürch, Michael; Cushing, Scott K.
  • Nature Reviews Chemistry, Vol. 2, Issue 6
  • DOI: 10.1038/s41570-018-0008-8

X-ray absorption spectroscopy in coordination chemistry
journal, September 1999


Beyond Ordered Materials: Understanding Catalytic Sites on Amorphous Solids
journal, October 2017


A Dinuclear Iridium(V,V) Oxo-Bridged Complex Characterized Using a Bulk Electrolysis Technique for Crystallizing Highly Oxidizing Compounds
journal, April 2018


Visualizing the coordination-spheres of photoexcited transition metal complexes with ultrafast hard X-rays
journal, January 2019

  • Khakhulin, D.; Lawson Daku, L. M.; Leshchev, D.
  • Physical Chemistry Chemical Physics, Vol. 21, Issue 18
  • DOI: 10.1039/C9CP01263J

Light-Induced Radical Formation and Isomerization of an Aromatic Thiol in Solution Followed by Time-Resolved X-ray Absorption Spectroscopy at the Sulfur K-Edge
journal, March 2017

  • Ochmann, Miguel; von Ahnen, Inga; Cordones, Amy A.
  • Journal of the American Chemical Society, Vol. 139, Issue 13
  • DOI: 10.1021/jacs.6b12992

Direct Observation of Active Nickel Oxide Cluster in Nickel–Borate Electrocatalyst for Water Oxidation by In Situ O K-Edge X-ray Absorption Spectroscopy
journal, August 2015

  • Yoshida, Masaaki; Mitsutomi, Yosuke; Mineo, Takehiro
  • The Journal of Physical Chemistry C, Vol. 119, Issue 33
  • DOI: 10.1021/acs.jpcc.5b06102

Formation and Functioning of Bimetallic Nanocatalysts: The Power of X-ray Probes
journal, July 2019

  • Filez, Matthias; Redekop, Evgeniy A.; Dendooven, Jolien
  • Angewandte Chemie International Edition, Vol. 58, Issue 38
  • DOI: 10.1002/anie.201902859

Catalyst Deposition on Photoanodes: The Roles of Intrinsic Catalytic Activity, Catalyst Electrical Conductivity, and Semiconductor Morphology
journal, March 2018


An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser
journal, October 2019


Intermediate-Range Structure of Self-Assembled Cobalt-Based Oxygen-Evolving Catalyst
journal, April 2013

  • Farrow, Christopher L.; Bediako, D. Kwabena; Surendranath, Yogesh
  • Journal of the American Chemical Society, Vol. 135, Issue 17
  • DOI: 10.1021/ja401276f

Ab Initio Calculations of X-ray Spectra: Atomic Multiplet and Molecular Orbital Effects in a Multiconfigurational SCF Approach to the L-Edge Spectra of Transition Metal Complexes
journal, November 2012

  • Josefsson, Ida; Kunnus, Kristjan; Schreck, Simon
  • The Journal of Physical Chemistry Letters, Vol. 3, Issue 23
  • DOI: 10.1021/jz301479j

Oxygen Contribution on Li-Ion Intercalation−Deintercalation in LiCoO 2 Investigated by O K-Edge and Co L-Edge X-ray Absorption Spectroscopy
journal, March 2002

  • Yoon, Won-Sub; Kim, Kwang-Bum; Kim, Min-Gyu
  • The Journal of Physical Chemistry B, Vol. 106, Issue 10
  • DOI: 10.1021/jp013735e

Oxygen Evolution Reaction Electrocatalysis on Transition Metal Oxides and (Oxy)hydroxides: Activity Trends and Design Principles
journal, October 2015


Proton–Electron Conductivity in Thin Films of a Cobalt–Oxygen Evolving Catalyst
journal, August 2018

  • Brodsky, Casey N.; Bediako, D. Kwabena; Shi, Chenyang
  • ACS Applied Energy Materials, Vol. 2, Issue 1
  • DOI: 10.1021/acsaem.8b00785

Ultrafast Spectroscopy: State of the Art and Open Challenges
journal, December 2019

  • Maiuri, Margherita; Garavelli, Marco; Cerullo, Giulio
  • Journal of the American Chemical Society, Vol. 142, Issue 1
  • DOI: 10.1021/jacs.9b10533

Domain Structures of Ni and NiFe (Oxy)Hydroxide Oxygen-Evolution Catalysts from X-ray Pair Distribution Function Analysis
journal, November 2017

  • Batchellor, Adam S.; Kwon, Gihan; Laskowski, Forrest A. L.
  • The Journal of Physical Chemistry C, Vol. 121, Issue 45
  • DOI: 10.1021/acs.jpcc.7b10306

Amorphous Catalysts and Electrochemical Water Splitting: An Untold Story of Harmony
journal, December 2019


Emerging Electron Microscopy Techniques for Probing Functional Interfaces in Energy Materials
journal, January 2020

  • Zachman, Michael J.; Hachtel, Jordan A.; Idrobo, Juan Carlos
  • Angewandte Chemie International Edition, Vol. 59, Issue 4
  • DOI: 10.1002/anie.201902993

End-On Bound Iridium Dinuclear Heterogeneous Catalysts on WO 3 for Solar Water Oxidation
journal, July 2018


First turnover analysis of water-oxidation catalyzed by Co-oxide nanoparticles
journal, January 2015

  • Koroidov, Sergey; Anderlund, Magnus F.; Styring, Stenbjörn
  • Energy & Environmental Science, Vol. 8, Issue 8
  • DOI: 10.1039/C5EE00700C

Sequential Infiltration Synthesis of Electronic Materials: Group 13 Oxides via Metal Alkyl Precursors
journal, June 2019


Strong O 2p–Fe 3d Hybridization Observed in Solution-Grown Hematite Films by Soft X-ray Spectroscopies
journal, November 2017

  • Ye, Yifan; Thorne, James E.; Wu, Cheng Hao
  • The Journal of Physical Chemistry B, Vol. 122, Issue 2
  • DOI: 10.1021/acs.jpcb.7b06989

Combining theory and experiment in electrocatalysis: Insights into materials design
journal, January 2017


The Linac Coherent Light Source: Recent Developments and Future Plans
journal, August 2017

  • Schoenlein, R. W.; Boutet, S.; Minitti, M. P.
  • Applied Sciences, Vol. 7, Issue 8, 850
  • DOI: 10.3390/app7080850

A close look at dose: Toward L-edge XAS spectral uniformity, dose quantification and prediction of metal ion photoreduction
journal, January 2015


Electronic Design Criteria for O−O Bond Formation via Metal−Oxo Complexes
journal, March 2008

  • Betley, Theodore A.; Wu, Qin; Van Voorhis, Troy
  • Inorganic Chemistry, Vol. 47, Issue 6
  • DOI: 10.1021/ic701972n

The Comparison between Single Atom Catalysis and Surface Organometallic Catalysis
journal, October 2019


Operando X-Ray Spectroscopic Techniques: A Focus on Hydrogen and Oxygen Evolution Reactions
journal, January 2020


Application of high-energy X-rays and Pair-Distribution-Function analysis to nano-scale structural studies in catalysis
journal, July 2009