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
Electrocatalytic Hydrogen Evolution at Full Atomic Utilization over ITO-Supported Sub-nano-Ptn Clusters: High, Size-Dependent Activity Controlled by Fluxional Pt Hydride Species.
Sign Up to like & getrecommendations! Published in 2023 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c13063
Abstract: A combination of density functional theory (DFT) and experiments with atomically size-selected Ptn clusters deposited on indium-tin oxide (ITO) electrodes was used to examine the effects of applied potential and Ptn size on the electrocatalytic… read more here.
Keywords: ptn; ptn clusters; activity; ito ... See more keywords
O2 adsorbed on Ptn clusters: Structure and optical absorption
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DOI: 10.1063/1.5017860
Abstract: The interaction of O2 with Ptn and the optical absorption properties of PtnO2 were explored under the framework of density functional theory. The Ptn (n= 2, 4, 6, 9, 10, 14, 18, 22, and 27)… read more here.
Keywords: optical absorption; ptn clusters; electron transfer;