U.S. Department of EnergyOffice of Scientific and Technical Information
In situ characterization of cofacial Co(IV) centers in Co4O4 cubane: Modeling the high-valent active site in oxygen-evolving catalysts
Abstract
The Co4O4cubane is a representative structural model of oxidic cobalt oxygen-evolving catalysts (Co-OECs). The Co-OECs are active when residing at two oxidation levels above an all-Co(III) resting state. This doubly oxidized Co(IV)2state may be captured in a Co(III)2(IV)2cubane. We demonstrate that the Co(III)2(IV)2cubane may be electrochemically generated and the electronic properties of this unique high-valent state may be probed by in situ spectroscopy. Intervalence charge-transfer (IVCT) bands in the near-IR are observed for the Co(III)2(IV)2cubane, and spectroscopic analysis together with electrochemical kinetics measurements reveal a larger reorganization energy and a smaller electron transfer rate constant for the doubly versus singly oxidized cubane. Spectroelectrochemical X-ray absorption data further reveal systematic spectral changes with successive oxidations from the cubane resting state. Electronic structure calculations correlated to experimental data suggest that this state is best represented as a localized, antiferromagnetically coupled Co(IV)2dimer. The exchange coupling in the cofacial Co(IV)2site allows for parallels to be drawn between the electronic structure of the Co4O4cubane model system and the high-valent active site of the Co-OEC, with specific emphasis on the manifestation of a doubly oxidized Co(IV)2center on O–O bond formation.
- Authors:
-
[1]
- Harvard Univ., Cambridge, MA (United States). Dept. of Chemistry and Chemical Biology
- Argonne National Lab. (ANL), Argonne, IL (United States). Chemical Sciences and Engineering Division
- Argonne National Lab. (ANL), Argonne, IL (United States). Chemical Sciences and Engineering Division; Northwestern Univ., Evanston, IL (United States). Dept. of Chemistry
- Publication Date:
- Research Org.:
- Argonne National Laboratory (ANL), Argonne, IL (United States); Harvard Univ., Cambridge, MA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences, and Biosciences Division; National Science Foundation (NSF)
- OSTI Identifier:
- 1373381
- Alternate Identifier(s):
- OSTI ID: 1599216
- Grant/Contract Number:
- AC02-06CH11357; SC0017619
- Resource Type:
- Journal Article: Accepted Manuscript
- Journal Name:
- Proceedings of the National Academy of Sciences of the United States of America
- Additional Journal Information:
- Journal Volume: 114; Journal Issue: 15; Journal ID: ISSN 0027-8424
- Publisher:
- National Academy of Sciences
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; renewable energy; Water-splitting; electrocatalysis; exchange coupling; mixed valency; oxygen evolution reaction; solar-to-fuels; Water-splitting, renewable energy, solar-to-fuels, electrocatalysis, oxygen evolution reaction, mixed valency, exchange coupling
Citation Formats
Brodsky, Casey N., Hadt, Ryan G., Hayes, Dugan, Reinhart, Benjamin J., Li, Nancy, Chen, Lin X., and Nocera, Daniel G. In situ characterization of cofacial Co(IV) centers in Co4O4 cubane: Modeling the high-valent active site in oxygen-evolving catalysts. United States: N. p., 2017.
Web. doi:10.1073/pnas.1701816114.
Brodsky, Casey N., Hadt, Ryan G., Hayes, Dugan, Reinhart, Benjamin J., Li, Nancy, Chen, Lin X., & Nocera, Daniel G. In situ characterization of cofacial Co(IV) centers in Co4O4 cubane: Modeling the high-valent active site in oxygen-evolving catalysts. United States. https://doi.org/10.1073/pnas.1701816114
Brodsky, Casey N., Hadt, Ryan G., Hayes, Dugan, Reinhart, Benjamin J., Li, Nancy, Chen, Lin X., and Nocera, Daniel G. 2017.
"In situ characterization of cofacial Co(IV) centers in Co4O4 cubane: Modeling the high-valent active site in oxygen-evolving catalysts". United States. https://doi.org/10.1073/pnas.1701816114. https://www.osti.gov/servlets/purl/1373381.
@article{osti_1373381,
title = {In situ characterization of cofacial Co(IV) centers in Co4O4 cubane: Modeling the high-valent active site in oxygen-evolving catalysts},
author = {Brodsky, Casey N. and Hadt, Ryan G. and Hayes, Dugan and Reinhart, Benjamin J. and Li, Nancy and Chen, Lin X. and Nocera, Daniel G.},
abstractNote = {The Co4O4cubane is a representative structural model of oxidic cobalt oxygen-evolving catalysts (Co-OECs). The Co-OECs are active when residing at two oxidation levels above an all-Co(III) resting state. This doubly oxidized Co(IV)2state may be captured in a Co(III)2(IV)2cubane. We demonstrate that the Co(III)2(IV)2cubane may be electrochemically generated and the electronic properties of this unique high-valent state may be probed by in situ spectroscopy. Intervalence charge-transfer (IVCT) bands in the near-IR are observed for the Co(III)2(IV)2cubane, and spectroscopic analysis together with electrochemical kinetics measurements reveal a larger reorganization energy and a smaller electron transfer rate constant for the doubly versus singly oxidized cubane. Spectroelectrochemical X-ray absorption data further reveal systematic spectral changes with successive oxidations from the cubane resting state. Electronic structure calculations correlated to experimental data suggest that this state is best represented as a localized, antiferromagnetically coupled Co(IV)2dimer. The exchange coupling in the cofacial Co(IV)2site allows for parallels to be drawn between the electronic structure of the Co4O4cubane model system and the high-valent active site of the Co-OEC, with specific emphasis on the manifestation of a doubly oxidized Co(IV)2center on O–O bond formation.},
doi = {10.1073/pnas.1701816114},
url = {https://www.osti.gov/biblio/1373381},
journal = {Proceedings of the National Academy of Sciences of the United States of America},
issn = {0027-8424},
number = 15,
volume = 114,
place = {United States},
year = {Mon Mar 27 00:00:00 EDT 2017},
month = {Mon Mar 27 00:00:00 EDT 2017}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journal
Cited by: 84 works
Citation information provided by
Web of Science
Web of Science
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
The Artificial Leaf
journal, January 2012
- Nocera, Daniel G.
- Accounts of Chemical Research, Vol. 45, Issue 5
Ultrathin Cobalt–Manganese Layered Double Hydroxide Is an Efficient Oxygen Evolution Catalyst
journal, November 2014
- Song, Fang; Hu, Xile
- Journal of the American Chemical Society, Vol. 136, Issue 47
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
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
Catalytic Oxygen Evolution by Cobalt Oxido Thin Films
book, January 2015
- Bediako, D. Kwabena; Ullman, Andrew M.; Nocera, Daniel G.
- Topics in Current Chemistry
X-ray Spectroscopic Characterization of Co(IV) and Metal–Metal Interactions in Co 4 O 4 : Electronic Structure Contributions to the Formation of High-Valent States Relevant to the Oxygen Evolution Reaction
journal, August 2016
- Hadt, Ryan G.; Hayes, Dugan; Brodsky, Casey N.
- Journal of the American Chemical Society, Vol. 138, Issue 34
Spectroscopy of Mixed-Valence Cu A -Type Centers: Ligand-Field Control of Ground-State Properties Related to Electron Transfer
journal, June 1998
- Gamelin, Daniel R.; Randall, David W.; Hay, Michael T.
- Journal of the American Chemical Society, Vol. 120, Issue 21
Powering the planet: Chemical challenges in solar energy utilization
journal, October 2006
- Lewis, N. S.; Nocera, D. G.
- Proceedings of the National Academy of Sciences, Vol. 103, Issue 43, p. 15729-15735
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
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
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
A Functionally Stable Manganese Oxide Oxygen Evolution Catalyst in Acid
journal, April 2014
- Huynh, Michael; Bediako, D. Kwabena; Nocera, Daniel G.
- Journal of the American Chemical Society, Vol. 136, Issue 16
Analysis of Exchange Interaction and Electron Delocalization as Intramolecular Determinants of Intermolecular Electron-Transfer Kinetics
journal, August 1997
- Bominaar, E. L.; Achim, C.; Borshch, S. A.
- Inorganic Chemistry, Vol. 36, Issue 17
Water Oxidation Catalysis: Electrocatalytic Response to Metal Stoichiometry in Amorphous Metal Oxide Films Containing Iron, Cobalt, and Nickel
journal, July 2013
- Smith, Rodney D. L.; Prévot, Mathieu S.; Fagan, Randal D.
- Journal of the American Chemical Society, Vol. 135, Issue 31
The Nature of Lithium Battery Materials under Oxygen Evolution Reaction Conditions
journal, October 2012
- Lee, Seung Woo; Carlton, Christopher; Risch, Marcel
- Journal of the American Chemical Society, Vol. 134, Issue 41
High resolution 1s core hole X-ray spectroscopy in 3d transition metal complexes—electronic and structural information
journal, January 2005
- Glatzel, Pieter; Bergmann, Uwe
- Coordination Chemistry Reviews, Vol. 249, Issue 1-2
Nature of Activated Manganese Oxide for Oxygen Evolution
journal, November 2015
- Huynh, Michael; Shi, Chenyang; Billinge, Simon J. L.
- Journal of the American Chemical Society, Vol. 137, Issue 47
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
Digital simulations on unequally spaced grids.
journal, February 2003
- Rudolph, Manfred
- Journal of Electroanalytical Chemistry, Vol. 543, Issue 1
In Situ Formation of an Oxygen-Evolving Catalyst in Neutral Water Containing Phosphate and Co2+
journal, August 2008
- Kanan, M. W.; Nocera, D. G.
- Science, Vol. 321, Issue 5892, p. 1072-1075
Excited electronic states of transition-metal dimers and the VBCI model: an overview
journal, October 2001
- Tuczek, F.
- Coordination Chemistry Reviews, Vol. 219-221
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
Spectroscopic Studies of Nanoparticulate Thin Films of a Cobalt-Based Oxygen Evolution Catalyst
journal, April 2014
- Liu, Yi; Nocera, Daniel G.
- The Journal of Physical Chemistry C, Vol. 118, Issue 30
Reflections on the Two-State Electron-Transfer Model
book, January 2001
- Brunschwig, Bruce S.; Sutin, Norman
- Electron Transfer in Chemistry
Quantum chemical calculations of the reorganization energy of blue-copper proteins
journal, December 1998
- Olsson, Mats H. M.; Ryde, Ulf; Roos, Björn O.
- Protein Science, Vol. 7, Issue 12
Copper Active Sites in Biology
journal, January 2014
- Solomon, Edward I.; Heppner, David E.; Johnston, Esther M.
- Chemical Reviews, Vol. 114, Issue 7
Towards a Molecular Level Understanding of the Multi-Electron Catalysis of Water Oxidation on Metal Oxide Surfaces
journal, November 2014
- Zhang, Miao; Frei, Heinz
- Catalysis Letters, Vol. 145, Issue 1
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
Mechanistic Investigations of Water Oxidation by a Molecular Cobalt Oxide Analogue: Evidence for a Highly Oxidized Intermediate and Exclusive Terminal Oxo Participation
journal, September 2015
- Nguyen, Andy I.; Ziegler, Micah S.; Oña-Burgos, Pascual
- Journal of the American Chemical Society, Vol. 137, Issue 40
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
Optical transitions of symmetrical mixed-valence systems in the Class II–III transition regimeElectronic supplementary information (ESI) is available: derivation of eqn. (39c), table summarizing the relationships between band maxima and band widths predicted by the two-state model and table of spectral properties of mixed-valence ruthenium(II)/(III) bridged by pyrazine and dicyanamide. See http://www.rsc.org/suppdata/cs/b0/b008034i/
journal, April 2002
- Brunschwig, Bruce S.; Creutz, Carol; Sutin, Norman
- Chemical Society Reviews, Vol. 31, Issue 3
Inorganic Electron Transfer: Sharpening a Fuzzy Border in Mixed Valency and Extending Mixed Valency across Supramolecular Systems
journal, January 2013
- Kubiak, Clifford P.
- Inorganic Chemistry, Vol. 52, Issue 10
Structure, strain, and reorganization energy of blue copper models in the protein
journal, January 2001
- Ryde, Ulf; Olsson, Mats H. M.
- International Journal of Quantum Chemistry, Vol. 81, Issue 5
Electrocatalytic Oxygen Evolution over Supported Small Amorphous Ni–Fe Nanoparticles in Alkaline Electrolyte
journal, June 2014
- Qiu, Yang; Xin, Le; Li, Wenzhen
- Langmuir, Vol. 30, Issue 26
Electronic Structure Description of a [Co(III) 3 Co(IV)O 4 ] Cluster: A Model for the Paramagnetic Intermediate in Cobalt-Catalyzed Water Oxidation
journal, October 2011
- McAlpin, J. Gregory; Stich, Troy A.; Ohlin, C. André
- Journal of the American Chemical Society, Vol. 133, Issue 39
cis,cis -[(bpy) 2 Ru V O] 2 O 4+ Catalyzes Water Oxidation Formally via in Situ Generation of Radicaloid Ru IV −O•
journal, June 2006
- Yang, Xiaofan; Baik, Mu-Hyun
- Journal of the American Chemical Society, Vol. 128, Issue 23
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
Synthesis, Structure, Spectral and Electrochemical Properties, and Catalytic Use of Cobalt(III)−Oxo Cubane Clusters
journal, October 2007
- Chakrabarty, Rajesh; Bora, Sanchay J.; Das, Birinchi K.
- Inorganic Chemistry, Vol. 46, Issue 22
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
Water Oxidation Mechanism for Synthetic Co–Oxides with Small Nuclearity
journal, September 2013
- Li, Xichen; Siegbahn, Per E. M.
- Journal of the American Chemical Society, Vol. 135, Issue 37
Reorganization energy and pre-exponential factor from temperature-dependent experiments in electron transfer reactions. A typical example: the reduction of tert-nitrobutane
journal, January 2012
- Costentin, Cyrille; Louault, Cyril; Robert, Marc
- Phys. Chem. Chem. Phys., Vol. 14, Issue 5
Water Oxidation by the [Co 4 O 4 (OAc) 4 (py) 4 ] + Cubium is Initiated by OH – Addition
journal, December 2015
- Smith, Paul F.; Hunt, Liam; Laursen, Anders B.
- Journal of the American Chemical Society, Vol. 137, Issue 49
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
Conduction and Reactivity in Heterogeneous-Molecular Catalysis: New Insights in Water Oxidation Catalysis by Phosphate Cobalt Oxide Films
journal, April 2016
- Costentin, Cyrille; Porter, Thomas R.; Savéant, Jean-Michel
- Journal of the American Chemical Society, Vol. 138, Issue 17
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
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
The CuA center of cytochrome-c oxidase: electronic structure and spectra of models compared to the properties of CuA domains.
journal, August 1995
- Larsson, S.; Kallebring, B.; Wittung, P.
- Proceedings of the National Academy of Sciences, Vol. 92, Issue 16
Chemical Redox Agents for Organometallic Chemistry
journal, January 1996
- Connelly, Neil G.; Geiger, William E.
- Chemical Reviews, Vol. 96, Issue 2
Direct-Coupling O 2 Bond Forming a Pathway in Cobalt Oxide Water Oxidation Catalysts
journal, August 2011
- Wang, Lee-Ping; Van Voorhis, Troy
- The Journal of Physical Chemistry Letters, Vol. 2, Issue 17
Excited-State Exchange Coupling in Bent Mn(III)−O−Mn(III) Complexes: Dominance of the π/σ Superexchange Pathway and Its Possible Contributions to the Reactivities of Binuclear Metalloproteins
journal, September 2000
- Brunold, Thomas C.; Gamelin, Daniel R.; Solomon, Edward I.
- Journal of the American Chemical Society, Vol. 122, Issue 35
Promoting the Activity of Catalysts for the Oxidation of Water with Bridged Dinuclear Ruthenium Complexes
journal, February 2013
- Jiang, Yi; Li, Fei; Zhang, Biaobiao
- Angewandte Chemie International Edition, Vol. 52, Issue 12
Cobalt–phosphate oxygen-evolving compound
journal, January 2009
- Kanan, Matthew W.; Surendranath, Yogesh; Nocera, Daniel G.
- Chemical Society Reviews, Vol. 38, Issue 1, p. 109-114
Works referencing / citing this record:
Discovery of Open Cubane Core Structures for Biomimetic LnCo3 (OR)4 Water Oxidation Catalysts
text, January 2017
- Schilling, Mauro; Hodel, Florian H.; Luber, Sandra
- Wiley-VCH Verlag
Stabilization of reactive Co 4 O 4 cubane oxygen-evolution catalysts within porous frameworks
journal, May 2019
- Nguyen, Andy I.; Van Allsburg, Kurt M.; Terban, Maxwell W.
- Proceedings of the National Academy of Sciences
Mechanistic Insights into Light‐Activated Catalysis for Water Oxidation
journal, April 2019
- Natali, Mirco; Nastasi, Francesco; Puntoriero, Fausto
- European Journal of Inorganic Chemistry, Vol. 2019, Issue 15
Computational Modeling of Cobalt-Based Water Oxidation: Current Status and Future Challenges
text, January 2018
- Schilling, Mauro; Luber, Sandra
- Frontiers Research Foundation
A review of transition metal‐based bifunctional oxygen electrocatalysts
journal, April 2019
- Ibrahim, Kassa B.; Tsai, Meng‐Che; Chala, Soressa A.
- Journal of the Chinese Chemical Society, Vol. 66, Issue 8
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
Computational Modeling of Cobalt-Based Water Oxidation: Current Status and Future Challenges
journal, April 2018
- Schilling, Mauro; Luber, Sandra
- Frontiers in Chemistry, Vol. 6
Mechanistic Insights into Light-Activated Catalysis for Water Oxidation: Mechanistic Insights into Light-Activated Catalysis for Water Oxidation
journal, January 2019
- Natali, Mirco; Nastasi, Francesco; Puntoriero, Fausto
- European Journal of Inorganic Chemistry, Vol. 2019, Issue 15
In Situ EPR Characterization of a Cobalt Oxide Water Oxidation Catalyst at Neutral pH
journal, November 2019
- Kutin, Yury; Cox, Nicholas; Lubitz, Wolfgang
- Catalysts, Vol. 9, Issue 11
Electrochemical trapping of metastable Mn 3+ ions for activation of MnO 2 oxygen evolution catalysts
journal, May 2018
- Morgan Chan, Zamyla; Kitchaev, Daniil A.; Nelson Weker, Johanna
- Proceedings of the National Academy of Sciences, Vol. 115, Issue 23
Selective C(sp 2 )‐H Amination Catalyzed by High‐Valent Cobalt(III)/(IV)‐bpy Complex Immobilized on Silica Nanoparticles
journal, October 2019
- Budnikova, Yulia; Bochkova, Olga; Khrizanforov, Mikhail
- ChemCatChem, Vol. 11, Issue 22
Discovery of Open Cubane Core Structures for Biomimetic LnCo 3 (OR) 4 Water Oxidation Catalysts
journal, October 2017
- Schilling, Mauro; Hodel, Florian H.; Luber, Sandra
- ChemSusChem, Vol. 10, Issue 22
Self-healing catalysis in water
journal, September 2017
- Costentin, Cyrille; Nocera, Daniel G.
- Proceedings of the National Academy of Sciences, Vol. 114, Issue 51
Photoluminescence and Magnetism Study of Blue Light Emitting the Oxygen-Bridged Open-Cubane Cobalt(II) Cluster
journal, June 2018
- Gungor, Elif; Coban, Mustafa Burak; Kara, Hulya
- Journal of Cluster Science, Vol. 29, Issue 6
Reactive Cobalt–Oxo Complexes of Tetrapyrrolic Macrocycles and N-based Ligand in Oxidative Transformation Reactions
journal, December 2018
- Ali, Atif; Akram, Waseem; Liu, Hai-Yang
- Molecules, Vol. 24, Issue 1
Compositional Control as the Key for Achieving Highly Efficient OER Electrocatalysis with Cobalt Phosphates Decorated Nanocarbon Florets
journal, March 2020
- Saha, Jayeeta; Verma, Sonam; Ball, Ranadeb
- Small, Vol. 16, Issue 12
Lattice-strained metal–organic-framework arrays for bifunctional oxygen electrocatalysis
journal, January 2019
- Cheng, Weiren; Zhao, Xu; Su, Hui
- Nature Energy, Vol. 4, Issue 2
2D Metal Organic Framework‐Graphitic Carbon Nanocomposites as Precursors for High‐Performance O 2 ‐Evolution Electrocatalysts
journal, October 2018
- Rodenas, Tania; Beeg, Sebastian; Spanos, Ioannis
- Advanced Energy Materials, Vol. 8, Issue 35
Geometric and electronic structure of a crystallographically characterized thiolate-ligated binuclear peroxo-bridged cobalt(III) complex
journal, July 2019
- Dedushko, Maksym A.; Schweitzer, Dirk; Blakely, Maike N.
- JBIC Journal of Biological Inorganic Chemistry, Vol. 24, Issue 6
Au Catalyzed Carbon Diffusion in Ni: A Case of Lattice Compatibility Stabilized Metastable Intermediates
journal, March 2018
- Kang, Jian-Xin; Zhang, Dong-Feng; Guo, Gen-Cai
- Advanced Functional Materials, Vol. 28, Issue 21
Computational Approach to Molecular Catalysis by 3d Transition Metals: Challenges and Opportunities
journal, October 2018
- Vogiatzis, Konstantinos D.; Polynski, Mikhail V.; Kirkland, Justin K.
- Chemical Reviews, Vol. 119, Issue 4
Computational Modeling of Cobalt-Based Water Oxidation: Current Status and Future Challenges
journal, April 2018
- Schilling, Mauro; Luber, Sandra
- Frontiers in Chemistry, Vol. 6