DFT study of Sb and Pb layers on the Bi(1 1 1) surface
Sign Up to like & getrecommendations! Published in 2018 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2018.03.152
Abstract: Abstract The electronic structures of Sb and Pb-covered Bi(1 1 1) are studied by means of relativistic DFT calculations. The Bi bilayer built of Bi(1 1 1) atomic planes is found to be semiconducting, with the indirect band gap… read more here.
Keywords: dft; surface; study layers; dft study ... See more keywords
Structural and energetic properties of P3HT and PCBM layers on the Ag(1 1 1) surface
Sign Up to like & getrecommendations! Published in 2020 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2020.112997
Abstract: Abstract The structural and energetic properties of poly(3-hexyl-thiophene) (P3HT) and 6,6-phenyl C61 butyric acid methyl ester (PCBM) monolayers and multilayers on the Ag(1 1 1) surface are investigated using classical force fields and molecular dynamics simulations. The… read more here.
Keywords: structural energetic; properties p3ht; p3ht pcbm; pcbm layers ... See more keywords
Characteristic Regularities in Condensation of Nickel Layers on the Surface of a Tungsten Single Crystal
Sign Up to like & getrecommendations! Published in 2020 at "Technical Physics Letters"
DOI: 10.1134/s1063785020070172
Abstract: Abstract Condensation and adsorption of Ni with a thickness from several tenths of a monoatomic layer to several hundred layers on the surface of a single-crystal W tip has been studied by field emission microscopy… read more here.
Keywords: field; single crystal; characteristic regularities; layers surface ... See more keywords