Atomically engineering activation sites onto metallic 1T-MoS2 catalysts for enhanced electrochemical hydrogen evolution

Yichao Huang, Yuanhui Sun, Xueli Zheng, Toshihiro Aoki, Brian Pattengale, Jier Huang, Xin He, Wei Bian, Sabrina Younan, Nicholas Williams, Jun Hu, Jingxuan Ge, Ning Pu, Xingxu Yan, Xiaoqing Pan, Lijun Zhang (), Yongge Wei () and Jing Gu ()
Additional contact information
Yichao Huang: Tsinghua University
Yuanhui Sun: Jilin University
Xueli Zheng: Stanford University
Toshihiro Aoki: University of California - Irvine
Brian Pattengale: Marquette University
Jier Huang: Marquette University
Xin He: Jilin University
Wei Bian: Tsinghua University
Sabrina Younan: San Diego State University
Nicholas Williams: San Diego State University
Jun Hu: Tsinghua University
Jingxuan Ge: Tsinghua University
Ning Pu: Tsinghua University
Xingxu Yan: University of California - Irvine
Xiaoqing Pan: University of California - Irvine
Lijun Zhang: Jilin University
Yongge Wei: Tsinghua University
Jing Gu: San Diego State University

Nature Communications, 2019, vol. 10, issue 1, 1-11

Abstract: Abstract Engineering catalytic sites at the atomic level provides an opportunity to understand the catalyst’s active sites, which is vital to the development of improved catalysts. Here we show a reliable and tunable polyoxometalate template-based synthetic strategy to atomically engineer metal doping sites onto metallic 1T-MoS2, using Anderson-type polyoxometalates as precursors. Benefiting from engineering nickel and oxygen atoms, the optimized electrocatalyst shows great enhancement in the hydrogen evolution reaction with a positive onset potential of ~ 0 V and a low overpotential of −46 mV in alkaline electrolyte, comparable to platinum-based catalysts. First-principles calculations reveal co-doping nickel and oxygen into 1T-MoS2 assists the process of water dissociation and hydrogen generation from their intermediate states. This research will expand on the ability to improve the activities of various catalysts by precisely engineering atomic activation sites to achieve significant electronic modulations and improve atomic utilization efficiencies.

Date: 2019
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DOI: 10.1038/s41467-019-08877-9

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