Understanding the structure and electronic properties of N-doped graphene nanoribbons upon hydrogen saturation
Structures and electronic properties of zigzag graphene nanoribbon (ZGNR) with pyridine (3NV-ZGNR) functionalized by Scandium (Sc) at the edge were studied through quantum chemical calculations in the formalism of density-functional theory (DFT). Pyridine-like nitrogen defects is very crucial for en...
محفوظ في:
المؤلف الرئيسي: | Mananghaya, Michael |
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التنسيق: | text |
منشور في: |
Animo Repository
2014
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الموضوعات: | |
الوصول للمادة أونلاين: | https://animorepository.dlsu.edu.ph/faculty_research/2211 https://animorepository.dlsu.edu.ph/context/faculty_research/article/3210/type/native/viewcontent |
الوسوم: |
إضافة وسم
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المؤسسة: | De La Salle University |
مواد مشابهة
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Hydrogen adsorption of nitrogen-doped carbon nanotubes functionalized with 3d-block transition metals
بواسطة: Mananghaya, Michael R.
منشور في: (2015) -
Theoretical investigation of edge-modified zigzag graphene nanoribbons by scandium metal with pyridine-like defects: A potential hydrogen storage material
بواسطة: Mananghaya, Michael
منشور في: (2014) -
Small transition metal cluster adsorbed on graphene and graphene nanoribbons: A density functional based tight binding molecular dynamics study
بواسطة: Mananghaya, Michael Rivera, وآخرون
منشور في: (2018) -
Transport Properties of Ag Decorated Zigzag Graphene Nanoribbons as a Function of Temperature: A Density Functional Based Tight Binding Molecular Dynamics Study
بواسطة: Mananghaya, Michael Rivera
منشور في: (2019) -
Small Transition Metal Cluster Adsorbed on Graphene and Graphene Nanoribbons: A Density Functional Based Tight Binding Molecular Dynamics Study
بواسطة: Mananghaya, Michael Rivera, وآخرون
منشور في: (2018)