Electronic coupling induced by structural deformation and magnetic dopants in dual-metal Janus MoReS3 and WReS3 for hydrogen evolution reaction

Autor:	Zhiping Zhou, Ying Wang, Thinghui Li, Yun Shan
Rok vydání:	2021
Předmět:	Work (thermodynamics) Materials science Spin polarization Dopant General Physics and Astronomy Electronic structure Gibbs free energy Metal symbols.namesake Chemical physics visual_art visual_art.visual_art_medium symbols Work function Janus Physical and Theoretical Chemistry
Zdroj:	Chemical Physics Letters. 785:139120
ISSN:	0009-2614
DOI:	10.1016/j.cplett.2021.139120
Popis:	The layered MoReS3 and WReS3 were proposed for investigation into the synergistic effect between structural deformation and dopants on regulating hydrogen evolution reaction (HER) activity. The Magnetic dopants give rise to an electronic structure with spin polarization characteristic due to strong electron-electron interactions while the Gibbs free energy, work function and charge transfer are strongly dependent on structural deformation. This work provides a new insight into regulating catalyst’s electronic structure and reactive activity in Janus atomic configuration.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::7b963e436d3200c6c4e45ba0120dff4c https://doi.org/10.1016/j.cplett.2021.139120 Zobrazit plný text záznamu Full Text from ScienceDirect