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
Controlling the electronic properties of zigzag graphene nanoribbon using amino acids and oxygen molecule-A first principles DFT study
Sign Up to like & getrecommendations! Published in 2019 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2019.07.094
Abstract: Abstract The density functional study on the functionalization of zigzag graphene nanoribbon [ZGNR(6,0)] was carried out by using the amino acids l -Serine and l -Valine with/without O2 molecule. Valine is an essential amino acid… read more here.
Keywords: amino acids; using amino; study; zgnr ... See more keywords