ArticleRSC advances2025
Feature-rich fundamental properties of hydrogen-adsorbed armchair graphene nanoribbons: insights from first-principles calculations.
Article in RSC advances, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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Who cites it
3 citing papers in PubMed.
- Charge-state-controlled spin polarization and quantum transport in vanadium-decorated 7-armchair graphene nanoribbons.RSC advances · 2026Article
- Enhanced sensing characteristics of N doped and (N, O) co-doped molybdenum disulfide to detect toxic gases: a comprehensive first-principles study.RSC advances · 2026Article
- Hydrogenation-enriched fundamental properties of armchair silicene nanoribbons: a comprehensive first-principles study.RSC advances · 2025Article
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Authors and funding
8 authors.
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Abstract
Using first-principles calculations, we report on the notable structural, electronic, and magnetic properties of hydrogen-adsorbed 7-armchair graphene nanoribbons (7-AGNR) at various adatom concentrations and distributions. Key findings include optimal structural parameters, adsorption energies, one-dimensional electronic band structures, density of states (DOS), charge density distributions, charge density differences, and spin density distributions. Our results indicate that hydrogen atoms preferentially adsorb on the top sites of carbon atoms, with double-side adsorption being more stable than single-side adsorption. Even-hydrogenated 7-AGNR configurations behave as nonmagnetic semiconductors with varying bandgaps, while odd-hydrogenated configurations exhibit ferromagnetic behavior with different bandgaps. The number of unpaired hydrogen adatoms influences the magnetic moments of these configurations. Specifically, the magnetic moment can reach up to 7
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