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We performed a systematic density functional study of the adsorption of copper, silver, and gold adatoms on graphene, especially accounting for van der Waals interactions by the vdW-DF and the PBE+D2 ...
Monte Carlo Investigation of Adsorption Stage of O
on Ru(0001): a Study of a Lattice Model
absorption on surface phase diagram phase transition Monte Carlo
simulation
2007/8/15
2001Vol.35No.1pp.114-117DOI:
Monte Carlo Investigation of Adsorption Stage of O
on Ru(0001): a Study of a Lattice Model
XIONG Guo-Ming and LI Xia
Department of Applied P...
Adsorption of Fe on GaAs (100) Surface
chemisorption supercell interaction low index single crystal surfaces
2007/8/15
2003Vol.39No.4pp.473-476DOI:
Adsorption of Fe on GaAs (100) Surface
WEI Shu-Yi, MA Li, WANG Jian-Guang, and WANG Tian-Xing
College of Physics & Information Engineering, ...
Initial Processes of Sulfur Adsorption on Si(100) Surface
sulfur silicon chemisorption supercell interaction
2007/8/15
2005Vol.44No.4pp.724-726DOI:
Initial Processes of Sulfur Adsorption on Si(100) Surface
MA Li, WANG Jian-Guang, and WANG Guang-Hou
National Laboratory of Solid State Micr...
Initial Processes of Hydrogen Adsorption on Si(100) Surface
hydrogen silicon chemisorption supercell interaction
2007/8/15
2004Vol.42No.5pp.795-797DOI:
Initial Processes of Hydrogen Adsorption on Si(100) Surface
MA Li,1 WANG
Jian-Guang,2 WEI
Shu-Yi,2 and WANG Guang-Hou1
1 National Laborato...
Silicon Adsorption In Single Walled Nanotubes
Nanotube Silicon adsorption Monte Carlo simulations First principle calculation
2010/9/25
Using density functional (DF) calculations and Monte Carlo (MC) simulations we have investigated the main electronic and structural properties of silicon interacting with single walled carbon nanotube...
A Theoretical Study of Acrylonitrile Adsorption on Si(001)
A Theoretical Study Acrylonitrile Adsorption Si(001)
2010/10/22
The present work is a comparative study of possible adsorption structures of the conjugated molecule acrylonitrile on Si(001) employing the state of the art pseudopotential method, within a generalize...
CH3CN on Si(001): Adsorption Geometries and Electronic Structure
CH3CN Adsorption Geometries Electronic Structure
2010/10/22
In this work we employ the state of the art pseudopotential method, within a generalized gradient approximation to the density functional theory, to investigate the adsorption process of acetonitrile ...