Please use this identifier to cite or link to this item:
Title: Surface composition dependent ligand effect in tuning the activity of nickel–copper bimetallic electrocatalysts toward hydrogen evolution in alkaline
Authors: Wei, Chao
Sun, Yuanmiao
Scherer, Günther G.
Fisher, Adrian C.
Sherburne, Matthew
Ager, Joel W.
Xu, Zhichuan Jason
Keywords: Science::Chemistry::Physical chemistry::Electrochemistry
Engineering::Materials::Energy materials
Issue Date: 2020
Source: Wei, C., Sun, Y., Scherer, G. G., Fisher, A. C., Sherburne, M., Ager, J. W. & Xu, Z. J. (2020). Surface composition dependent ligand effect in tuning the activity of nickel–copper bimetallic electrocatalysts toward hydrogen evolution in alkaline. Journal of the American Chemical Society, 142(17), 7765-7775.
Journal: Journal of the American Chemical Society 
Abstract: Exploring efficient and low-cost electrocatalysts for hydrogen evolution reaction (HER) in alkaline media is crit-ical for developing anion exchange membrane electrolyzers. The key to a rational catalyst design is understanding the de-scriptors that govern the alkaline HER activity. Unfortunately, the principles that governs alkaline HER performance remain unclear and are still under debate. By studying the alkaline HER at a series of NiCu bimetallic surfaces, where the electronic structure is modulated by ligand effect, we demonstrate that alkaline HER activity can be correlated with either the calculated or the experimental-measured d band center (an indicator of hydrogen binding energy) via a volcano-type relationship. Such correlation indicates the descriptor role of d band center, and this hypothesis is further supported by the evidence that com-bining Ni and Cu produces a variety of adsorption sites, which possess near-optimal hydrogen binding energy. Our finding broadens the applicability of d band theory to activity prediction of metal electrocatalysts and may offer an insightful under-standing of alkaline HER mechanism.
ISSN: 0002-7863
DOI: 10.1021/jacs.9b12005
Rights: This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of the American Chemical Society, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:MSE Journal Articles

Files in This Item:
File Description SizeFormat 
Chao Wei DR-NTU.pdf4.42 MBAdobe PDFView/Open

Page view(s)

Updated on Jul 25, 2021


Updated on Jul 25, 2021

Google ScholarTM




Items in DR-NTU are protected by copyright, with all rights reserved, unless otherwise indicated.