Electron affinity of boron-terminated diamond (001) surfaces: a density functional theory study

2019 ◽  
Vol 7 (31) ◽  
pp. 9756-9765 ◽  
Author(s):  
Wei Shen ◽  
Yuanhui Pan ◽  
Shengnan Shen ◽  
Hui Li ◽  
Yang Zhang ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Electron Affinity ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Oxidized Diamond

Boron-terminated bare and oxidized diamond (001) surfaces are first proposed in this paper and are modelled by adsorbing the boron (B) atoms onto the bare and oxidized diamond (001) surfaces, respectively.

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