TiO2 nano-clusters adsorbed on surfaces: A density-functional-theoretic study
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Physics and Chemistry of Solids"
DOI: 10.1016/j.jpcs.2020.109716
Abstract: Abstract We performed density-functional-theoretical calculations to investigate the adsorption of two stable nano-clusters corresponding to (TiO2)N with N = 3 and 5 supported on three different type of substrates: graphene, silver and gold. For each… read more here.
Keywords: density functional; energy; density; tio2 nano ... See more keywords
DFT studies of Ptn (n=2–13) clusters adsorbed on γ-graphyne
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DOI: 10.1016/j.vacuum.2020.109847
Abstract: Abstract In this work, the density functional calculations of the structures of sub-nano scale isolated Pt clusters and absorbed on γ-graphyne, the transition states, and energy barriers of CO catalytic oxidation on Pt4/γ-graphyne are reported.… read more here.
Keywords: adsorbed graphyne; dft studies; ptn clusters; studies ptn ... See more keywords