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• W2201907505 abstract "The adsorption behaviors of radioactive strontium and silver nuclides on the graphite surface in a high-temperature gas-cooled reactor are studied by first-principles theory using generalized gradient approximation (GGA) and local density approximation (LDA) pseudo-potentials. It turns out that Sr prefers to be absorbed at the hollow of the carbon hexagonal cell by 0.54 eV (GGA), while Ag likes to sit right above the carbon atom with an adsorption energy of almost zero (GGA) and 0.45 eV (LDA). Electronic structure analysis reveals that Sr donates its partial electrons of the 4p and 5s states to the graphite substrate, while Ag on graphite is a physical adsorption without any electron transfer." @default.
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• W2201907505 date "2013-06-01" @default.
• W2201907505 modified "2023-10-18" @default.
• W2201907505 title "Adsorption and Electronic Structure of Sr and Ag Atoms on Graphite Surfaces: a First-Principles Study" @default.
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• W2201907505 doi "https://doi.org/10.1088/0256-307x/30/6/066801" @default.
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