Quasi-chemical approach for adsorption of mixtures with non-additive lateral interactions
Sign Up to like & getrecommendations! Published in 2017 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2016.09.146
Abstract: Abstract The statistical thermodynamics of binary mixtures with non-additive lateral interactions was developed on a generalization in the spirit of the lattice-gas model and the classical quasi-chemical approximation (QCA). The traditional assumption of a strictly… read more here.
Keywords: additive lateral; adsorption; mixtures non; lateral interactions ... See more keywords
Quasi-chemical theory for anion hydration and specific ion effects: Cl-(aq) vs. F-(aq)
Sign Up to like & getrecommendations! Published in 2019 at "Chemical Physics Letters"
DOI: 10.1016/j.cpletx.2019.100037
Abstract: Anion hydration is complicated by H-bond donation between neighboring water molecules in addition to H-bond donation to the anion. This situation can lead to competing structures for chemically simple clusters like (H$_2$O)$_n$Cl$^-$ and to anharmonic… read more here.
Keywords: anion; anion hydration; chemical theory; ion ... See more keywords
Quasi-chemical analysis of point defect structure іn Mn-doped CdTe single crystals
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Physics and Chemistry of Solids"
DOI: 10.1016/j.jpcs.2019.109290
Abstract: Abstract Electrical properties of CdTe single crystals, doped by Mn (1 × 1017–1 × 1019 at/cm3), were studied in the wide temperature range using high-temperature Hall effect measurements. To explain the obtained electrical properties the numerical simulation of the structure… read more here.
Keywords: cdte single; quasi chemical; single crystals; point defect ... See more keywords