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Title: Electrocatalytic Hydrogen Evolution under Acidic Aqueous Conditions and Mechanistic Studies of a Highly Stable Molecular Catalyst

Journal Article · · Journal of the American Chemical Society
DOI:https://doi.org/10.1021/jacs.6b05851· OSTI ID:1415252
 [1];  [1]
  1. Department of Chemistry, University of California, Irvine, California 92697, United States

Electrocatalytic activity of a water-soluble nickel complex, [Ni(DHMPE)2]2+ (DHMPE = 2-bis(di(hydroxymethyl)phosphino)ethane), for the hydrogen evolution reaction (HER) at pH 1 is reported. The catalyst functions at a rate of ~103 s-1 (kobs) with high Faradaic efficiency. Quantification of the complex before and after 18+ hours of electrolysis reveals negligible decomposition under catalytic conditions. Although highly acidic conditions are common in electrolytic cells, this is a rare example of a homogeneous catalyst for HER that functions with high stability at low pH. The stability of the compound and proposed catalytic intermediates enabled detailed mechanistic studies. The thermodynamic parameters governing electron and proton transfer were used to determine the appropriate reductants and acids to access the catalytic cycle in a stepwise fashion, permitting direct spectroscopic identification of intermediates. Finally, these studies support a mechanism for proton reduction that proceeds through two-electron reduction of the nickel(II) complex, protonation to generate [HNi(DHMPE)2]+, and further protonation to initiate hydrogen bond formation.

Research Organization:
Univ. of California, Irvine, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC0012150
OSTI ID:
1415252
Alternate ID(s):
OSTI ID: 1474066
Journal Information:
Journal of the American Chemical Society, Journal Name: Journal of the American Chemical Society Vol. 138 Journal Issue: 43; ISSN 0002-7863
Publisher:
American Chemical SocietyCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 74 works
Citation information provided by
Web of Science

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A coordinatively saturated nickel complex supported by triazenido ligands: a new electrocatalyst for hydrogen generation via ligand-centered proton-transfer journal January 2017
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Enumeration of de novo inorganic complexes for chemical discovery and machine learning journal January 2020
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Reversible and Selective CO 2 to HCO 2 Electrocatalysis near the Thermodynamic Potential journal March 2020
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Convenient Immobilization of Cobalt Corroles on Carbon Nanotubes through Covalent Bonds for Electrocatalytic Hydrogen and Oxygen Evolution Reactions journal January 2019
Making machine learning a useful tool in the accelerated discovery of transition metal complexes journal July 2019
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A mechanism study on the hydrogen evolution reaction catalyzed by molybdenum disulfide complexes journal January 2018
A family of molecular nickel hydrogen evolution catalysts providing tunable overpotentials using ligand-centered proton-coupled electron transfer paths journal January 2018
Photocatalytic and electrocatalytic hydrogen production using nickel complexes supported by hemilabile and non-innocent ligands journal January 2020
Polymorphs of a copper coordination compound: interlinking active sites enhance the electrocatalytic activity of the coordination polymer compared to the coordination complex journal January 2020
Design and photophysical studies of iridium( iii )–cobalt( iii ) dyads and their application for dihydrogen photo-evolution journal January 2019
Cu I SNS triazole and imidazole pincers as electrocatalyst precursors for the production of solar fuels journal January 2020

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