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Dimeric [Mo 2 S 12 ] 2− Cluster: A Molecular Analogue of MoS 2 Edges for Superior Hydrogen‐Evolution Electrocatalysis
Author(s) -
Huang Zhongjie,
Luo Wenjia,
Ma Lu,
Yu Mingzhe,
Ren Xiaodi,
He Mingfu,
Polen Shane,
Click Kevin,
Garrett Benjamin,
Lu Jun,
Amine Khalil,
Hadad Christopher,
Chen Weilin,
Asthagiri Aravind,
Wu Yiying
Publication year - 2015
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201507529
Subject(s) - electrocatalyst , catalysis , molybdenum disulfide , electrochemistry , cluster (spacecraft) , chemistry , hydrogen , active site , crystallography , stereochemistry , materials science , electrode , organic chemistry , computer science , metallurgy , programming language
Proton reduction is one of the most fundamental and important reactions in nature. MoS 2 edges have been identified as the active sites for hydrogen evolution reaction (HER) electrocatalysis. Designing molecular mimics of MoS 2 edge sites is an attractive strategy to understand the underlying catalytic mechanism of different edge sites and improve their activities. Herein we report a dimeric molecular analogue [Mo 2 S 12 ] 2− , as the smallest unit possessing both the terminal and bridging disulfide ligands. Our electrochemical tests show that [Mo 2 S 12 ] 2− is a superior heterogeneous HER catalyst under acidic conditions. Computations suggest that the bridging disulfide ligand of [Mo 2 S 12 ] 2− exhibits a hydrogen adsorption free energy near zero (−0.05 eV). This work helps shed light on the rational design of HER catalysts and biomimetics of hydrogen‐evolving enzymes.