Atomic‐Scale Core/Shell Structure Engineering Induces Precise Tensile Strain to Boost Hydrogen Evolution Catalysis

• DOI: 10.1002/adma.201707301
• Publication Date: 2018-05-08T06:28:24Z
• Authors: Han Zhu; Guohua Gao; Mingliang Du; Jinhui Zhou; Kai Wang; Wenbo Wu; Xu Chen; Yong Li; Piming Ma; Weifu Dong; Fang Duan; Mingqing Chen; Guangming Wu; Jiandong Wu; Haitao Yang; Shaojun Guo
• Keywords: Atomic units; Strain (injury); Strain engineering; Tensile strain

Abstract Tuning surface strain is a new strategy for boosting catalytic activity to achieve sustainable energy supplies; however, correlating the with performance scarce because such mechanistic studies strongly require capability of tailoring on catalysts as precisely possible. Herein, conceptual tuning tensile Co 9 S 8 /MoS 2 core/shell nanocrystals hydrogen evolution reaction (HER) by controlling MoS shell numbers demonstrated. It found that can be tuned from 3.5% 0% changing layer 5L 1L, in which strained /1L (3.5%) exhibits best HER an overpotential only 97 mV (10 mA cm −2 ) and Tafel slope 71 dec −1 . The density functional theory calculation reveals nanostructure yields lowest adsorption (∆ E H −1.03 eV transition state barrier 2H* 0.29 (MoS , ∆ = −0.86 0.49 eV), are key stabilizing intermediate, seizing ions, releasing gas.