Sulfur-induced Electronic Optimization of Mo5N6 for Hydrogen Evolution through Topochemical Substitution
學年 111
學期 2
出版（發表）日期 2023-06-15
作品名稱 Sulfur-induced Electronic Optimization of Mo5N6 for Hydrogen Evolution through Topochemical Substitution
作品名稱（其他語言）
著者 Jianmei Chen, Xiaochun Liu, Hao Wang, Chao-Lung Chiang, Pengfei Hou, Jianmin Li, Huanyu Jin, Shujuan Liu, Xing Meng, Yan-Gu Lin, Jong-Min Lee, Qiang Zhao
單位
出版者
著錄名稱、卷期、頁數 Chemical Engineering Journal, 466, 143221
摘要 Nitrogen-rich transition metal nitrides (e.g., Mo5N6) have emerged as promising catalysts for the hydrogen evolution reaction (HER) owing to their unique electronic properties and structural stability. However, the higher valence of metal atoms with strong hydrogen adsorption blocks the subsequent desorption process, leading to unsatisfactory HER activity. In this study, we devise a topochemical route for the synthesis of sulfur-doped Mo5N6 through the controlled ammoniation of MoS2. Experiments and density functional theory simulations reveal that the sulfur dopants reform the localized configurations of Mo5N6, thereby inducing the electron redistribution and optimizing the hydrogen adsorption energy on the basal plane. Consequently, extraordinary HER performance with an overpotential of 56 mV at 10 mA cm−2 and a Tafel slope of 37.9 mV dec-1 are achieved, outperforming most reported Mo nitride-based electrocatalysts. This work provides a feasible strategy to explore efficient electrocatalysts by electronic structure refinement using heteroatom dopants.
關鍵字 2023/06/15
語言 en
ISSN
期刊性質 國外
收錄於 SCI SSCI Scopus
產學合作
通訊作者 Hao Wang, Jong-Min Lee, Qiang Zhao
審稿制度 1
國別 NLD
公開徵稿
出版型式 ,電子版
SDGS 永續城市與社區,夥伴關係,可負擔的潔淨能源,產業創新與基礎設施