Synergistic Effects of Carbon Vacancies in Conjunction with Phosphorus Dopant across Bilayer Graphene for the Enhanced Hydrogen Evolution Reaction.

ABSTRACT: Bilayer graphene (BLG) exhibits distinct physical properties under external influences, such as torsion and structural defects, setting it apart from monolayer graphene. In this study, we explore the synergistic effects of carbon vacancies, in conjunction with phosphorus dopants, across BLG, focusing on their impact on structural, magnetic, electrical, and hydrogen adsorption properties. Our findings reveal that the substitutional doping of a phosphorus atom into a single carbon vacancy in a graphene layer induces substantial structural distortion in BLG. In contrast, doping phosphorus into a double vacancy maintains the flat structure of graphene layers. These distinct layer structures affect the electron distribution and spin arrangement, leading to varied electronic configurations and i

SUBMITTER: Hu H 

PROVIDER: S-EPMC11007721 | biostudies-literature | 2024 Apr

REPOSITORIES: biostudies-literature