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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 ...
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...
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, ...
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...
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...
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...
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...
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 ...

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