Please use this identifier to cite or link to this item: https://doi.org/10.1021/acscatal.8b00783
Title: Engineering the Electronic Structure of MoS2 Nanorods by N and Mn Dopants for Ultra-Efficient Hydrogen Production
Authors: Tao Sun 
Jun Wang
Xiao Chi 
Yunxiang Lin
Zhongxin Chen 
Xiang Ling
Chuntian Qiu
Yangsen Xu
Li Song |Wei Chen 
Chenliang Su 
Keywords: Science & Technology
Physical Sciences
Chemistry, Physical
Chemistry
hydrogen evolution reaction
N and Mn codoping
molybdenum disulfide
electronic structures
H* adsorption
RAY-ABSORPTION SPECTROSCOPY
OXYGEN REDUCTION REACTION
ACTIVE EDGE SITES
EVOLUTION REACTION
MOLYBDENUM SULFIDES
ELECTROCATALYSTS
PERFORMANCE
NANOSHEETS
CATALYSTS
NITROGEN
Issue Date: 1-Aug-2018
Publisher: AMER CHEMICAL SOC
Citation: Tao Sun, Jun Wang, Xiao Chi, Yunxiang Lin, Zhongxin Chen, Xiang Ling, Chuntian Qiu, Yangsen Xu, Li Song |Wei Chen, Chenliang Su (2018-08-01). Engineering the Electronic Structure of MoS2 Nanorods by N and Mn Dopants for Ultra-Efficient Hydrogen Production. ACS CATALYSIS 8 (8) : 7585-7592. ScholarBank@NUS Repository. https://doi.org/10.1021/acscatal.8b00783
Abstract: © 2018 American Chemical Society. Developing economical and efficient electrocatalysts with nonprecious metals for the hydrogen evolution reaction (HER), especially in water-alkaline electrolyzers, is pivotal for large-scale hydrogen production. Recently, both density functional theory (DFT) calculations and experimental studies have demonstrated that earth-abundant MoS2 is a promising HER electrocatalyst in acidic solution. However, the HER kinetics of MoS2 in alkaline solution still suffer from a high overpotential (90-220 mV at a current density of 10 mA cm-2). Herein, we report a combined experimental and first-principle approach toward achieving an economical and ultraefficient MoS2-based electrocatalyst for the HER by fine-tuning the electronic structure of MoS2 nanorods with N and Mn dopants. The developed N,Mn codoped MoS2 catalyst exhibits an outstanding HER performance with overpotentials of 66 and 70 mV at 10 mA cm-2 in alkaline and phosphate-buffered saline media, respectively, and corresponding Tafel slopes of 50 and 65 mV dec-1. Moreover, the catalyst also exhibits long-term stability in HER tests. DFT calculations suggest that (1) the electrocatalytic performance can be attributed to the enhanced conductivity and optimized electronic structures for facilitating H∗ adsorption and desorption after N and Mn codoping and (2) N and Mn dopants can greatly activate the catalytic HER activity of the S-edge for MoS2. The discovery of a simple approach toward the synthesis of highly active and low-cost MoS2-based electrocatalysts in both alkaline and neutral electrolytes allows the premise of scalable production of hydrogen fuels.
Source Title: ACS CATALYSIS
URI: https://scholarbank.nus.edu.sg/handle/10635/169211
ISSN: 2155-5435
DOI: 10.1021/acscatal.8b00783
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