Understanding Hydrogen Atom and Hydride Transfer Processes during Electrochemical Alcohol and Aldehyde Oxidation

Bender, Michael T.; Warburton, Robert E.; Hammes-Schiffer, Sharon; Choi, Kyoung-Shin

doi:10.1021/acscatal.1c04163

Understanding Hydrogen Atom and Hydride Transfer Processes during Electrochemical Alcohol and Aldehyde Oxidation

Journal Article · 03 December 2021 · ACS Catalysis

DOI:https://doi.org/10.1021/acscatal.1c04163· OSTI ID:1978303

Bender, Michael T. ^[1]; ^[2]; ^[2]; ^[1]

Department of Chemistry, University of Wisconsin-Madison, Madison, Wisconsin 53706, United States
Department of Chemistry, Yale University, New Haven, Connecticut 06520, United States

Not provided.

Research Organization:: Univ. of Wisconsin, Madison, WI (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0020983

OSTI ID:: 1978303

Journal Information:: ACS Catalysis, Vol. 11, Issue 24; ISSN 2155-5435

Publisher:: American Chemical Society (ACS)

Country of Publication:: United States

Language:: English

References (35)

Alcohol oxidation as alternative anode reactions paired with (photo)electrochemical fuel production reactions Bender, Michael T.; Yuan, Xin; Choi, Kyoung-Shin Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-18461-1	journal	September 2020
Combined biomass valorization and hydrogen production in a photoelectrochemical cell Cha, Hyun Gil; Choi, Kyoung-Shin Nature Chemistry, Vol. 7, Issue 4, p. 328-333 https://doi.org/10.1038/nchem.2194	journal	March 2015
Alternative Oxidation Reactions for Solar-Driven Fuel Production Lhermitte, Charles R.; Sivula, Kevin ACS Catalysis, Vol. 9, Issue 3 https://doi.org/10.1021/acscatal.8b04565	journal	January 2019
A Precious‐Metal‐Free Hybrid Electrolyzer for Alcohol Oxidation Coupled to CO ₂ ‐to‐Syngas Conversion Bajada, Mark A.; Roy, Souvik; Warnan, Julien Angewandte Chemie International Edition, Vol. 59, Issue 36 https://doi.org/10.1002/anie.202002680	journal	May 2020
Efficient H ₂ Evolution Coupled with Oxidative Refining of Alcohols via A Hierarchically Porous Nickel Bifunctional Electrocatalyst You, Bo; Liu, Xuan; Liu, Xin ACS Catalysis, Vol. 7, Issue 7 https://doi.org/10.1021/acscatal.7b00876	journal	June 2017
A Comparative Study of Nickel, Cobalt, and Iron Oxyhydroxide Anodes for the Electrochemical Oxidation of 5-Hydroxymethylfurfural to 2,5-Furandicarboxylic Acid Taitt, Brandon J.; Nam, Do-Hwan; Choi, Kyoung-Shin ACS Catalysis, Vol. 9, Issue 1 https://doi.org/10.1021/acscatal.8b04003	journal	November 2018
Electrocatalysis and electroanalysis of nickel, its oxides, hydroxides and oxyhydroxides toward small molecules Miao, Yuqing; Ouyang, Lei; Zhou, Shilin Biosensors and Bioelectronics, Vol. 53 https://doi.org/10.1016/j.bios.2013.10.008	journal	March 2014
Oxidation of organic compounds on NiOOH electrode Lyalin, B. V.; Petrosyan, V. A. Russian Journal of Electrochemistry, Vol. 46, Issue 11 https://doi.org/10.1134/S1023193510110017	journal	November 2010
The oxidation of organic compounds at a nickel anode in alkaline solution Fleischmann, M.; Korinek, K.; Pletcher, D. Journal of Electroanalytical Chemistry and Interfacial Electrochemistry, Vol. 31, Issue 1 https://doi.org/10.1016/S0022-0728(71)80040-2	journal	June 1971
Unraveling Two Pathways for Electrochemical Alcohol and Aldehyde Oxidation on NiOOH Bender, Michael T.; Lam, Yan Choi; Hammes-Schiffer, Sharon Journal of the American Chemical Society, Vol. 142, Issue 51 https://doi.org/10.1021/jacs.0c10924	journal	December 2020
The kinetics and mechanism of the oxidation of amines and alcohols at oxide-covered nickel, silver, copper, and cobalt electrodes Fleischmann, M.; Korinek, K.; Pletcher, D. Journal of the Chemical Society, Perkin Transactions 2, Issue 10 https://doi.org/10.1039/p29720001396	journal	January 1972
Oxidation of alcohols by electrochemically regenerated nickel oxide hydroxide. Selective oxidation of hydroxysteroids Kaulen, Johannes; Schäfer, Hans-J. Tetrahedron, Vol. 38, Issue 22 https://doi.org/10.1016/0040-4020(82)80110-5	journal	January 1982
Characterization of NiFe oxyhydroxide electrocatalysts by integrated electronic structure calculations and spectroelectrochemistry Goldsmith, Zachary K.; Harshan, Aparna K.; Gerken, James B. Proceedings of the National Academy of Sciences, Vol. 114, Issue 12 https://doi.org/10.1073/pnas.1702081114	journal	March 2017
Influence of iron doping on tetravalent nickel content in catalytic oxygen evolving films Li, Nancy; Bediako, D. Kwabena; Hadt, Ryan G. Proceedings of the National Academy of Sciences, Vol. 114, Issue 7 https://doi.org/10.1073/pnas.1620787114	journal	January 2017
Structure–Activity Correlations in a Nickel–Borate Oxygen Evolution Catalyst Bediako, D. Kwabena; Lassalle-Kaiser, Benedikt; Surendranath, Yogesh Journal of the American Chemical Society, Vol. 134, Issue 15 https://doi.org/10.1021/ja301018q	journal	April 2012
Unraveling Oxygen Evolution on Iron-Doped β-Nickel Oxyhydroxide: The Key Role of Highly Active Molecular-like Sites Martirez, John Mark P.; Carter, Emily A. Journal of the American Chemical Society, Vol. 141, Issue 1 https://doi.org/10.1021/jacs.8b12386	journal	November 2018
Identification of Highly Active Fe Sites in (Ni,Fe)OOH for Electrocatalytic Water Splitting Friebel, Daniel; Louie, Mary W.; Bajdich, Michal Journal of the American Chemical Society, Vol. 137, Issue 3 https://doi.org/10.1021/ja511559d	journal	January 2015
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
Mechanism and Activity of Water Oxidation on Selected Surfaces of Pure and Fe-Doped NiO _x Li, Ye-Fei; Selloni, Annabella ACS Catalysis, Vol. 4, Issue 4 https://doi.org/10.1021/cs401245q	journal	March 2014
Enhanced Water Oxidation Catalysis of Nickel Oxyhydroxide through the Addition of Vacancies Fidelsky, Vicky; Toroker, Maytal Caspary The Journal of Physical Chemistry C, Vol. 120, Issue 44 https://doi.org/10.1021/acs.jpcc.6b07931	journal	October 2016
In-situ structure and catalytic mechanism of NiFe and CoFe layered double hydroxides during oxygen evolution Dionigi, Fabio; Zeng, Zhenhua; Sinev, Ilya Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-16237-1	journal	May 2020
The Entropies of Adsorbed Molecules Campbell, Charles T.; Sellers, Jason R. V. Journal of the American Chemical Society, Vol. 134, Issue 43 https://doi.org/10.1021/ja3080117	journal	October 2012
Electrochemical Synthesis of Photoelectrodes and Catalysts for Use in Solar Water Splitting Kang, Donghyeon; Kim, Tae Woo; Kubota, Stephen R. Chemical Reviews, Vol. 115, Issue 23 https://doi.org/10.1021/acs.chemrev.5b00498	journal	August 2015
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
Advanced capabilities for materials modelling with Quantum ESPRESSO Giannozzi, P.; Andreussi, O.; Brumme, T. Journal of Physics: Condensed Matter, Vol. 29, Issue 46 https://doi.org/10.1088/1361-648X/aa8f79	journal	October 2017
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
Optimization algorithm for the generation of ONCV pseudopotentials Schlipf, Martin; Gygi, François Computer Physics Communications, Vol. 196 https://doi.org/10.1016/j.cpc.2015.05.011	journal	November 2015
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
Band theory and Mott insulators: Hubbard U instead of Stoner I Anisimov, Vladimir I.; Zaanen, Jan; Andersen, Ole K. Physical Review B, Vol. 44, Issue 3, p. 943-954 https://doi.org/10.1103/PhysRevB.44.943	journal	July 1991
Density-functional theory and NiO photoemission spectra Anisimov, V. I.; Solovyev, I. V.; Korotin, M. A. Physical Review B, Vol. 48, Issue 23 https://doi.org/10.1103/PhysRevB.48.16929	journal	December 1993
Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators Liechtenstein, A. I.; Anisimov, V. I.; Zaanen, J. Physical Review B, Vol. 52, Issue 8 https://doi.org/10.1103/PhysRevB.52.R5467	journal	August 1995
Linear response approach to the calculation of the effective interaction parameters in the LDA + U method Cococcioni, Matteo; de Gironcoli, Stefano Physical Review B, Vol. 71, Issue 3 https://doi.org/10.1103/PhysRevB.71.035105	journal	January 2005
Toward reliable density functional methods without adjustable parameters: The PBE0 model Adamo, Carlo; Barone, Vincenzo The Journal of Chemical Physics, Vol. 110, Issue 13 https://doi.org/10.1063/1.478522	journal	April 1999
Adaptively Compressed Exchange Operator Lin, Lin Journal of Chemical Theory and Computation, Vol. 12, Issue 5 https://doi.org/10.1021/acs.jctc.6b00092	journal	April 2016
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

Similar Records

Electrochemical Oxidation of HMF via Hydrogen Atom Transfer and Hydride Transfer on NiOOH and the Impact of NiOOH Composition

Journal Article · 2022 · ChemSusChem · OSTI ID:1869493

Bender, Michael T.; Choi, Kyoung‐Shin

Unraveling Two Pathways for Electrochemical Alcohol and Aldehyde Oxidation on NiOOH

Journal Article · 2020 · Journal of the American Chemical Society · OSTI ID:1853692

Bender, Michael T.; Lam, Yan Choi; Hammes-Schiffer, Sharon; +1 more

Related Subjects

Chemistry

Understanding Hydrogen Atom and Hydride Transfer Processes during Electrochemical Alcohol and Aldehyde Oxidation

Citation Formats

References (35)

Similar Records

Related Subjects