Small transition metal cluster adsorbed on graphene and graphene nanoribbons: A density functional based tight binding molecular dynamics study

Small transition metal cluster adsorbed on graphene and graphene nanoribbons: A density functional based tight binding molecular dynamics study

The systemic study of the electronic properties of different transition metals (TMs-Sc, Ti, Fe, Co, Ni, Zn, Ag and Au) adsorbed in the surface of graphene was done with the aid of self-consistent charge density functional based tight binding method. Results show that the Silver metal adsorbed in the...

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Bibliographic Details
Main Authors: Mananghaya, Michael Rivera, Santos, Gil Nonato, Yu, Dennis
Format: text
Published: Animo Repository 2018
Subjects:
Transition metals
Graphene
Enthalpy
Binding energy
Density functionals
Chemical Engineering
Online Access:https://animorepository.dlsu.edu.ph/faculty_research/2212
https://animorepository.dlsu.edu.ph/context/faculty_research/article/3211/type/native/viewcontent
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Institution: De La Salle University

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https://animorepository.dlsu.edu.ph/faculty_research/2212
https://animorepository.dlsu.edu.ph/context/faculty_research/article/3211/type/native/viewcontent

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