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Tailoring the d-Band Center of WS2 by Metal and Nonmetal Dual-Doping for Enhanced Electrocatalytic Nitrogen Reduction

文献类型：期刊论文

作者Wen, Lulu2; Chang, Qingfang3; Zhang, Xilin3; Li, Xinyang2; Zhong, Shichuan2; Zeng, Pan2,4; Shah, Syed Shoaib Ahmad1; Hu, Xiaoye2; Cai, Weiping2; Li, Yue2,5
刊名SMALL
出版日期2024-09-30
关键词d-band center dual-doping intermediates adsorption N-2 reduction yin-yang harmony
ISSN号1613-6810
DOI10.1002/smll.202407594
通讯作者Zhang, Xilin(zhangxilin@htu.edu.cn) ; Li, Yue(yueli@issp.ac.cn)
英文摘要Tuning the adsorption energy of nitrogen intermediates and lowering the reaction energy barrier is essential to accelerate the kinetics of nitrogen reduction reaction (NRR), yet remains a great challenge. Herein, the electronic structure of WS2 is tailored based on a metal and nonmetal dual-doping strategy (denoted Fe, F-WS2) to lower the d-band center of W in order to optimize the adsorption of nitrogen intermediates. The obtained Fe, F-WS2 nanosheet catalyst presents a high Faradic efficiency (FE) of 22.42% with a NH3 yield rate of 91.46 mu g h(-1) mg(cat.)(-1). The in situ characterizations and DFT simulations consistently show the enhanced activity is attributed to the downshift of the d-band center, which contributes to the rate-determining step of the second protonation to form N2H2* key intermediates, thereby boosting the overall nitrogen electrocatalysis reaction kinetics. This work opens a new avenue to enhanced electrocatalysis by modulating the electronic structure and surrounding microenvironment of the catalytic metal centers.
WOS关键词AMMONIA ; ELECTROREDUCTION
资助项目National Science Fund for Distinguished Young Scholars ; Natural Science Foundation of China[92263209] ; Natural Science Foundation of China[52201232] ; China Postdoctoral Science Foundation[2023M733536] ; China Postdoctoral Science Foundation[2020M682891] ; Scientific Instrument Developing Project of the Chinese Academy of Sciences[YJKYYQ20210009] ; High Performance Computing Center of Henan Normal University ; [51825103]
WOS研究方向Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
语种英语
WOS记录号WOS:001324538300001
出版者WILEY-V C H VERLAG GMBH
资助机构National Science Fund for Distinguished Young Scholars ; Natural Science Foundation of China ; China Postdoctoral Science Foundation ; Scientific Instrument Developing Project of the Chinese Academy of Sciences ; High Performance Computing Center of Henan Normal University
源URL[http://ir.hfcas.ac.cn:8080/handle/334002/135767]  
专题中国科学院合肥物质科学研究院
通讯作者Zhang, Xilin; Li, Yue
作者单位1.Natl Univ Sci & Technol, Sch Nat Sci, Dept Chem, Islamabad 44000, Pakistan
2.Chinese Acad Sci, Key Lab Mat Phys, Anhui Key Lab Nanomat & Nanotechnol, Inst Solid State Phys,Hefei Inst Phys Sci, Hefei 230031, Anhui, Peoples R China
3.Henan Normal Univ, Sch Phys, Henan Key Lab Photovolta Mat, Xinxiang 453000, Henan, Peoples R China
4.Univ Sci & Technol China, Hefei 230026, Peoples R China
5.Tiangong Univ, Sch Phys Sci & Technol, Tianjin 300387, Peoples R China
推荐引用方式
GB/T 7714		 Wen, Lulu,Chang, Qingfang,Zhang, Xilin,et al. Tailoring the d-Band Center of WS2 by Metal and Nonmetal Dual-Doping for Enhanced Electrocatalytic Nitrogen Reduction[J]. SMALL,2024.
APA Wen, Lulu.,Chang, Qingfang.,Zhang, Xilin.,Li, Xinyang.,Zhong, Shichuan.,...&Li, Yue.(2024).Tailoring the d-Band Center of WS2 by Metal and Nonmetal Dual-Doping for Enhanced Electrocatalytic Nitrogen Reduction.SMALL.
MLA Wen, Lulu,et al."Tailoring the d-Band Center of WS2 by Metal and Nonmetal Dual-Doping for Enhanced Electrocatalytic Nitrogen Reduction".SMALL (2024).

入库方式： OAI收割

来源：合肥物质科学研究院

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