Study of structural and electronic properties of graphene and some graphene derivatives based on orthorhombic unit cell by density functional theory

Structural and electronic properties of hydrogen-functionalized armchair germanene nanoribbons: A first-principles study

13 p | 12 | 5

Ab initio study of fundamental properties of XAlO3 (X = Cs, Rb and K) compounds

8 p | 7 | 3

Electronic structure and magnetic properties of Co2TaAl from ab initio calculations

4 p | 4 | 3

Structural and electronic properties of germanene adsorbing O2, N2, and H2 gases: A DFT study

6 p | 8 | 3

Structural and electronic properties of silver-adsorbed silicene nanoribbons: A first-principles study

10 p | 9 | 3

First-principles study on the structural and electronic properties of single-layer MoSi2N4

7 p | 7 | 2

Spectroscopic, thermal, structural and electrical studies on VO2 ions doped PVA/MAA:EA polymer blend films

9 p | 13 | 2

Effect of backbone conformation and its defects on electronic properties and assessment of the stabilizing role of π–π interactions in aryl substituted polysilylenes studied by DFT on deca[methyl(phenyl)silylene]s

14 p | 20 | 1

Dependence of hydrothermal time on structural characteristics and photocatalytic properties of SnO2 nanoparticles

9 p | 8 | 0