scholarly journals Density-Functional Tight-Binding Study of Carbonaceous Species Diffusion on the (100)-γ-Al2O3 Surface

ACS Omega ◽  
2020 ◽  
Vol 5 (12) ◽  
pp. 6862-6871 ◽  
Author(s):  
Aditya W. Sakti ◽  
Chien-Pin Chou ◽  
Hiromi Nakai
Keyword(s):  
Density Functional ◽  
Tight Binding ◽  
Binding Study ◽  
Carbonaceous Species ◽  
Species Diffusion

scholarly journals Thermal bridging of graphene nanosheets via covalent molecular junctions: A non-equilibrium Green’s functions–density functional tight-binding study

Nano Research ◽  
2019 ◽  
Vol 12 (4) ◽  
pp. 791-799 ◽  
Author(s):  
Diego Martinez Gutierrez ◽  
Alessandro Di Pierro ◽  
Alessandro Pecchia ◽  
Leonardo Medrano Sandonas ◽  
Rafael Gutierrez ◽  
...  
Keyword(s):  
Density Functional ◽  
Green's Functions ◽  
Green’S Functions ◽  
Graphene Nanosheets ◽  
Tight Binding ◽  
Molecular Junctions ◽  
Binding Study ◽  
Thermal Bridging ◽  
Non Equilibrium

scholarly journals Density-functional based tight-binding study of small gold clusters

2006 ◽  
Vol 8 ◽  
pp. 9-9 ◽  
Author(s):  
P Koskinen ◽  
H Häkkinen ◽  
G Seifert ◽  
S Sanna ◽  
Th Frauenheim ◽  
...  
Keyword(s):  
Density Functional ◽  
Tight Binding ◽  
Gold Clusters ◽  
Binding Study

Origin of Dirac Cones in SiC Silagraphene: A Combined Density Functional and Tight-Binding Study

2015 ◽  
Vol 6 (8) ◽  
pp. 1333-1339 ◽  
Author(s):  
Xuming Qin ◽  
Yi Liu ◽  
Xiaowu Li ◽  
Jingcheng Xu ◽  
Baoqian Chi ◽  
...  
Keyword(s):  
Density Functional ◽  
Tight Binding ◽  
Binding Study

scholarly journals Density Functional Based Tight Binding Study on Wurzite ZnS Nanowires

2012 ◽  
Vol 22 (4) ◽  
Author(s):  
Le Thi Hong Lien ◽  
Vu Ngoc Tuoc ◽  
Nguyen Thi Thuong
Keyword(s):  
Density Functional ◽  
Tight Binding ◽  
Binding Study

Density-functional tight-binding study of the collapse of carbon nanotubes under hydrostatic pressure

Carbon ◽  
2014 ◽  
Vol 69 ◽  
pp. 355-360 ◽  
Author(s):  
Tiago F.T. Cerqueira ◽  
Silvana Botti ◽  
Alfonso San-Miguel ◽  
Miguel A.L. Marques
Keyword(s):  
Carbon Nanotubes ◽  
Hydrostatic Pressure ◽  
Density Functional ◽  
Tight Binding ◽  
Binding Study
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