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20192023
most citedModeling electronic, mechanical, optical and thermal properties of graphene-like BCN materials: Role of prominent BN-bonds

49 citations · 349 across the 16 of their papers we have counts for

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Showing 2020Show all

6 papers · 1 filter

cond-mat.mes-hall2020★ 33 cited

Spin-polarised DFT modeling of electronic, magnetic, thermal and optical properties of silicene doped with transition metals

Nzar Rauf Abdullah, Mohammad T. Kareem, Hunar Omar Rashid +2

The geometric, electronic, magnetic, thermal, and optical properties of transition metal (TM) doped silicene are systematically explored using spin-dependent density functional com…

cond-mat.mes-hall2020★ 17 cited

Interlayer interaction controlling the properties of AB- and AA-stacked bilayer graphene-like BCN and SiC

Nzar Rauf Abdullah, Hunar Omar Rashid, Andrei Manolescu +1

We model bilayer graphene-like materials with SiC and BCN stoichiometry, where the interlayer interactions play important roles shaping the physical properties of…

cond-mat.mtrl-sci2020★ 21 cited

Properties of BSiN monolayers derived by first-principle computation

Nzar Rauf Abdullah, Hunar Omar Rashid, Chi-Shung Tang +2

The buckling effects due to BN-bonds in BN-codoped silicene, BSiN, on structural stability, electronic band structure, and mechanical, thermal and optical properties are studie…

cond-mat.mes-hall2020★ 33 cited

Electronic, thermal, and optical properties of graphene like SiC structures: Significant effects of Si atom configurations

Nzar Rauf Abdullah, Gullan Ahmed Mohammed, Hunar Omar Rashid +1

We investigate the electronic, thermal, and optical characteristics of graphene like SiC structure using model calculations based on density functional theory. The change in th…

cond-mat.mes-hall2020★ 49 cited

Modeling electronic, mechanical, optical and thermal properties of graphene-like BCN materials: Role of prominent BN-bonds

Nzar Rauf Abdullah, Hunar Omar Rashid, Chi-Shung Tang +2

We model monolayer graphene-like materials with BCN stoichiometry where the bonding between the B and the N atoms plays an important role for their physical and chemical proper…

cond-mat.mes-hall2020★ 48 cited

Effects of bonded and non-bonded B/N codoping of graphene on its stability,\break interaction energy, electronic structure, and power factor

Nzar Rauf Abdullah, Hunar Omar Rashid, Mohammad T. Kareem +3

We model boron and nitrogen doped/codoped monolayer graphene to study its stability, interaction energy, electronic and thermal properties using density functional theory. It is fo…