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- W2364986593 abstract "Novel Pt-substitution doped(5,5)single-walled BN nanotubes(BNNTs)were studied with density functional theory(DFT).The Pt atom protrudes to the exterior of the sidewall of BNNT,thus improves the reactivity of BNNT and favors attack from approaching molecules.The smaller energy gap between the highest occupied molecular orbital and lowest unoccupied molecular orbital for the Pt-doped BNNTs implies enhanced conductivity with respect to that of the pristine BNNT.The DFT predictions suggest a strong affinity of the Pt atom in BNNT towards CO molecules.Up to two CO can be chemically adsorbed on the Pt site of BNNT." @default.
- W2364986593 created "2016-06-24" @default.
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- W2364986593 date "2009-01-01" @default.
- W2364986593 modified "2023-09-25" @default.
- W2364986593 title "Theoretical Study on Adsorption of CO on Novel Pt-doped BN Nanotube" @default.
- W2364986593 hasPublicationYear "2009" @default.
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