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- W2369951444 abstract "【Objective】The adsorption of several N2on the Nb(100)surface has been studied.【Methods】We have performed total-energy calculations,which are based on density functional theory(DFT),for the adsorption of nitrogen on Nb(100)surface.【Results】The atomic geometries,structural,vibrational and surface work-function properties for this system have been investigated at 0.25,0.50and 0.75coverage.Furthermore,the detailed pictures of dissociation pathways for N2dissociation on Nb(100)surface have been presented.【Conclusion】N2is easy to dissociate on Nb(100)surface.N2is adsorbed in part dissociatively and in part molecularly on the surfaces." @default.
- W2369951444 created "2016-06-24" @default.
- W2369951444 creator A5090597551 @default.
- W2369951444 date "2014-01-01" @default.
- W2369951444 modified "2023-09-24" @default.
- W2369951444 title "Density Functional Theory Study of N_2 Adsorption on Nb(100)Surface" @default.
- W2369951444 hasPublicationYear "2014" @default.
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