Transport properties of Ag decorated zigzag graphene nanoribbons as a function of temperature: a density functional based tight binding molecular dynamics study
Sign Up to like & getrecommendations! Published in 2019 at "Adsorption"
DOI: 10.1007/s10450-019-00166-7
Abstract: The systemic study of the electronic transport (ET) properties of transition metal (TM) functionalized graphene was done with the aid of self-consistent charge density functional based tight binding (DFTB) method. Results show that among the… read more here.
Keywords: density functional; transport properties; based tight; functional based ... See more keywords
Small transition metal cluster adsorbed on graphene and graphene nanoribbons: A density functional based tight binding molecular dynamics study
Sign Up to like & getrecommendations! Published in 2018 at "Organic Electronics"
DOI: 10.1016/j.orgel.2018.09.031
Abstract: Abstract 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… read more here.
Keywords: density functional; tight binding; transition; metal ... See more keywords
Contribution of the density-functional-based tight-binding scheme to the description of water clusters: methods, applications and extension to bulk systems
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DOI: 10.1080/08927022.2018.1554903
Abstract: ABSTRACT This review is dedicated to the application of the self-consistent-charge density-functional-based tight-binding (SCC-DFTB) approach to describe the structures, energetics, thermodynamic and spectral properties of water clusters, in the context of both fundamental and applied… read more here.
Keywords: density functional; tight binding; water; water clusters ... See more keywords
FTN multicarrier transmission based on tight Gabor frames
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DOI: 10.1186/s13638-017-0878-3
Abstract: A multicarrier signal can be synthesized thanks to a symbol sequence and a Gabor family (i.e., a regularly time–frequency shifted version of a generator pulse). In this article, we consider the case where the signaling… read more here.
Keywords: multicarrier transmission; ftn multicarrier; transmission based; based tight ... See more keywords