能量守恒
发表于 2025-3-23 10:03:53
Dan Bahadur Pal,Amit Kumar Tiwarintal mixing behavior of bulk Pd–Pt alloys , the experimentally observed tendency of Pd atoms to segregate to the surface of Pd–Pt nanoalloys has been reproduced in these studies and the empirical potential results have been confirmed by ab initio density functional theory (DFT) calculations .
CBC471
发表于 2025-3-23 16:14:34
Lauro Oliver Paz BorbónNominated by the University of Birmingham, UK for a Springer Theses Prize.Results are relevant for theoretical and experimental studies of nanoalloy cluster structure and heterogeneous catalysis by bi
Nonporous
发表于 2025-3-23 20:46:53
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Confidential
发表于 2025-3-23 22:40:10
Sustainable Value Chain ManagementSurface segregation in nanoalloys may be simply predicted on the basis of simple elemental properties such as cohesive energy (..), surface energy (..), atomic radius (..) and electronegativity (χ).
民间传说
发表于 2025-3-24 04:31:55
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遭受
发表于 2025-3-24 08:04:57
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画布
发表于 2025-3-24 11:18:01
Norsyahida Mohammad,Siti Indati Mustapa varying from the use of an empirical potential (i.e. the Gupta potential) to ab initio methods such as density functional theory (DFT)Density Functional Theory is explained. An introduction to different global optimization techniques, for the exploration of the nanoparticle potential energy surface
难管
发表于 2025-3-24 18:34:45
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晚来的提名
发表于 2025-3-24 20:05:57
Dan Bahadur Pal,Amit Kumar Tiwarised to study the structures and segregation properties of Pd–Pt clusters of various sizes and compositions (see Chaps. 3–5). Studies have also been performed on onion-like geometric shell Pd–Pt clusters . Using averaged parameters for the mixed (Pd–Pt) interactions, consistent with the experime
ALB
发表于 2025-3-24 23:42:37
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