Ab-initio investigations on physisorption of alkaline earth metal atoms on monolayer hexagonal boron nitride (h-BN)
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Physics and Chemistry of Solids"
DOI: 10.1016/j.jpcs.2018.03.007
Abstract: Abstract First-principles density functional theory (DFT) calculations are performed on the structural, electronic, magnetic and optical properties of alkaline earth metal (AEM) atoms-adsorbed hexagonal boron nitride (h-BN) structures. Different AEM atoms were adsorbed on the… read more here.
Keywords: adsorption; earth metal; aem atoms; hexagonal boron ... See more keywords
Theoretical Study on Electronic, Magnetic and Optical Properties of Non-Metal Atoms Adsorbed onto Germanium Carbide
Sign Up to like & getrecommendations! Published in 2022 at "Nanomaterials"
DOI: 10.3390/nano12101712
Abstract: Nine kinds of non-metal atoms adsorbed into germanium carbide (NM-GeC) systems wereare investigated by first-principles calculations. The results show that the most stable adsorption positions vary with the NM atoms, and C-GeC exhibits the strongest… read more here.
Keywords: metal atoms; gec; atoms adsorbed; non metal ... See more keywords