Hydrogen adsorption on nearly zigzag-edged nanoribbons: A density functional theory study

• المؤلفون الرئيسيون: Mananghaya, Michael Rivera, Santos, Gil Nonato, Yu, Dennis, Stampfl, Catherine
• التنسيق: text
• منشور في: Animo Repository 2017
• الموضوعات: Nanostructured materials; Physics
• الوصول للمادة أونلاين: https://animorepository.dlsu.edu.ph/faculty_research/4565
• المؤسسة: De La Salle University

The realistic shapes of N doped graphene nanoribbons (GNRs) can be realized by considering nearly zigzag-edged (NZE) imperfections and pyridine defects (3NV). The paper focuses on NZE-GNRs with 3NV that is populated by Scandium abbreviated as Sc/NZE-3NVGNRs. Systematic calculations have clarified ro...