Article ID Journal Published Year Pages File Type
5356244 Applied Surface Science 2015 6 Pages PDF
Abstract

- We investigate the separation and gathering of Nb, Si and N atom around come to NbN grain.
- The adsorption and diffusion of single atom around 2N2Nb island were calculated by DFT.
- The adsorption behavior of Si-2N2Nb island on NbN (0 0 1) surface were investigated.
- The evolution of Si-2N2Nb island on NbN (0 0 1) were calculated by nudged elastic band.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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Evolution of Si-2N2Nb island configuration on NbN (0 0 1) surface: A first-principles calculation
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