Selective adsorption mechanisms of typical SF₆ decomposition products on Fe-doped graphene

Selective adsorption mechanisms of typical SF₆ decomposition products on Fe-doped graphene

The adsorption behavior of sulfur hexafluoride (SF6) decomposition products on pristine and Fe-doped graphene surfaces was systematically investigated using first-principles density functional theory (DFT) calculations. Structural configurations, thermodynamic parameters, were comprehensively analyz...

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Bibliographic Details
Main Authors: Chengjiang Wang, Xuze Wang, Xiangjia Liu, Feiyang Xie, Pengdi Zhang
Format: Article
Language:English
Published: Elsevier 2025-07-01
Series:Results in Chemistry
Subjects:
Metal-doped graphene
SF6 decomposition
Adsorption dynamics
Charge transfer
Density functional theory
Online Access:http://www.sciencedirect.com/science/article/pii/S2211715625004564
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