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Adsorption of Hydrogen at the GaN(000-1) Surface: An Ab Initio Study
(American Chemical Society, 2015)
ABSTRACT: Ab initio calculations are used to determine the basic physical properties of hydrogen adsorption at the N-terminated GaN(0001̅) surface. It was shown that the Fermi level is pinned at the valence band maximum ...
Electronic transfer contribution in adsorption of silicon at SiC(0001) surface – density functional theory (DFT) study
Physical properties of SiC(0001) surface under various coverage by Si adatoms was studied using density functional theory (DFT) calculations. The clean SiC(0001) surface has the Fermi level pinned by Si broken bond state ...