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Exclusive Strain Effect Boosts Overall Water Splitting in PdCu/Ir Core/Shell Nanocrystals
Author(s) -
Li Menggang,
Zhao Zhonglong,
Xia Zhonghong,
Luo Mingchuan,
Zhang Qinghua,
Qin Yingnan,
Tao Lu,
Yin Kun,
Chao Yuguang,
Gu Lin,
Yang Weiwei,
Yu Yongsheng,
Lu Gang,
Guo Shaojun
Publication year - 2021
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.202016199
Subject(s) - overpotential , nanomaterial based catalyst , electrocatalyst , water splitting , nanocrystal , materials science , catalysis , oxygen evolution , density functional theory , strain (injury) , chemical engineering , nanotechnology , nanoparticle , chemistry , electrochemistry , photocatalysis , computational chemistry , engineering , medicine , biochemistry , electrode
Core/shell nanocatalysts are a class of promising materials, which achieve the enhanced catalytic activities through the synergy between ligand effect and strain effect. However, it has been challenging to disentangle the contributions from the two effects, which hinders the rational design of superior core/shell nanocatalysts. Herein, we report precise synthesis of PdCu/Ir core/shell nanocrystals, which can significantly boost oxygen evolution reaction (OER) via the exclusive strain effect. The heteroepitaxial coating of four Ir atomic layers onto PdCu nanoparticle gives a relatively thick Ir shell eliminating the ligand effect, but creates a compressive strain of ca. 3.60%. The strained PdCu/Ir catalysts can deliver a low OER overpotential and a high mass activity. Density functional theory (DFT) calculations reveal that the compressive strain in Ir shell downshifts the d‐band center and weakens the binding of the intermediates, causing the enhanced OER activity. The compressive strain also boosts hydrogen evolution reaction (HER) activity and the strained nanocrystals can be served as excellent catalysts for both anode and cathode in overall water‐splitting electrocatalysis.