Affiliation:
1. Department of Physical Chemistry, Faculty of Chemistry, Razi University, 67144-14971 Taq-e Bostan, Kermanshah, Iran
Abstract
Hydrogenated monovacancy graphene (Hx-MVG, x = 1–7) is investigated for stability, gas interactions, hydrogen migration, and catalytic capabilities using density functional theory (DFT) calculations and molecular dynamics (MD) simulations.
Publisher
Royal Society of Chemistry (RSC)
Cited by
1 articles.
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