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Title: The role of an interface in stabilizing reaction intermediates for hydrogen evolution in aprotic electrolytes

Journal Article · · Chemical Science
DOI: https://doi.org/10.1039/C9SC05768D · OSTI ID:1607944

By combining idealized experiments with realistic quantum mechanical simulations of an interface, we investigate electroreduction reactions of HF, water and methanesulfonic acid on the single crystal (111) facets of Au, Pt, Ir and Cu in a variety of aprotic electrolytes.

Research Organization:
Argonne National Laboratory (ANL), Argonne, IL (United States)
Sponsoring Organization:
BMW Technology Corporation; Technical University of Munich; USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division
Grant/Contract Number:
AC02-06CH11357
OSTI ID:
1607944
Journal Information:
Chemical Science, Journal Name: Chemical Science Journal Issue: 15 Vol. 11; ISSN 2041-6520; ISSN CSHCBM
Publisher:
Royal Society of ChemistryCopyright Statement
Country of Publication:
United Kingdom
Language:
English

References (34)

Structure of Electrified Interfaces. Herausgegeben von J. Lipkowski und P. N. Ross. VCH Verlagsgesellschaft, Weinheim/VCH Publishers, New York, 1993. 406 S., geb. 196.00 DM/125.00 $. — ISBN 3-527-28787-6/0-89573-787-6 journal October 1994
Hydrogen Oxidation and Hydrogen Evolution on a Platinum Electrode in Acetonitrile journal September 2015
The electrochemistry of noble metal electrodes in aprotic organic solvents containing lithium salts journal January 1991
Review of selected electrode–solution interactions which determine the performance of Li and Li ion batteries journal August 2000
The state of understanding of the lithium-ion-battery graphite solid electrolyte interphase (SEI) and its relationship to formation cycling journal August 2016
Challenges in the first-principles description of reactions in electrocatalysis journal May 2011
A review of the features and analyses of the solid electrolyte interphase in Li-ion batteries journal September 2010
Solid electrolyte interphase: Can faster formation at lower potentials yield better performance? journal April 2018
A new look at the solid electrolyte interphase on graphite anodes in Li-ion batteries journal February 2006
pH and Alkali Cation Effects on the Pt Cyclic Voltammogram Explained Using Density Functional Theory journal December 2015
pH in Grand Canonical Statistics of an Electrochemical Interface journal December 2016
The Fate of Water at the Electrochemical Interfaces: Electrochemical Behavior of Free Water Versus Coordinating Water journal November 2018
Nonaqueous Liquid Electrolytes for Lithium-Based Rechargeable Batteries journal October 2004
Donor-Dependent Kinetics of Interfacial Proton-Coupled Electron Transfer journal February 2016
Underpotential Deposition of Lithium on Platinum Single Crystal Electrodes in Tetrahydrofuran journal July 2007
Modeling the Electrochemical Hydrogen Oxidation and Evolution Reactions on the Basis of Density Functional Theory Calculations journal October 2010
Ab Initio Thermodynamic Modeling of Electrified Metal–Oxide Interfaces: Consistent Treatment of Electronic and Ionic Chemical Potentials journal September 2014
Voltammetry of Basal Plane Platinum Electrodes in Acetonitrile Electrolytes: Effect of the Presence of Water journal March 2012
Towards the computational design of solid catalysts journal April 2009
The role of non-covalent interactions in electrocatalytic fuel-cell reactions on platinum journal August 2009
Computational high-throughput screening of electrocatalytic materials for hydrogen evolution journal October 2006
Energy and fuels from electrochemical interfaces journal December 2016
Review on modeling of the anode solid electrolyte interphase (SEI) for lithium-ion batteries journal March 2018
Electrocatalytic transformation of HF impurity to H2 and LiF in lithium-ion batteries journal April 2018
Solvation behavior of carbonate-based electrolytes in sodium ion batteries journal January 2017
pH in atomic scale simulations of electrochemical interfaces journal January 2013
Correlating the hydrogen evolution reaction activity in alkaline electrolytes with the hydrogen binding energy on monometallic surfaces journal January 2013
Real-space grid implementation of the projector augmented wave method journal January 2005
Electrochemical Study of Hydrogen Adsorption on Clean Platinum Metal Surfaces journal January 1963
Enhancing Hydrogen Evolution Activity in Water Splitting by Tailoring Li+-Ni(OH)2-Pt Interfaces journal December 2011
Surface Film Formation and Lithium Underpotential Deposition on Au(111) Surfaces in Propylene Carbonate journal January 2003
Trends in the Exchange Current for Hydrogen Evolution journal January 2005
The Development and Future of Lithium Ion Batteries journal December 2016
Review—SEI: Past, Present and Future journal January 2017

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