Theoretical study of the adsorption of CHO radicals on hexagonal boron nitride sheet: Structural and electronic changes

2014 ◽  
Vol 295 ◽  
pp. 137-143 ◽  
Author(s):  
Yu Tian ◽  
Xiao-fan Pan ◽  
Yue-jie Liu ◽  
Jing-xiang Zhao
Keyword(s):  
Boron Nitride ◽  
Theoretical Study ◽  
Hexagonal Boron Nitride

Theoretical study of the influence of vacancies on the electronic structure of a hexagonal boron nitride monolayer

2011 ◽  
Vol 112 (4) ◽  
pp. 664-667 ◽  
Author(s):  
M. V. Serzhantova ◽  
A. A. Kuzubov ◽  
A. S. Fedorov ◽  
P. O. Krasnov ◽  
F. N. Tomilin
Keyword(s):  
Electronic Structure ◽  
Boron Nitride ◽  
Theoretical Study ◽  
Hexagonal Boron Nitride

Revealing stable geometries and magic clusters of hexagonal boron nitride in the nucleation of chemical vapor deposition growth on Ni(111)/Cu(111) surfaces: a theoretical study

2020 ◽  
Vol 22 (7) ◽  
pp. 4023-4031 ◽  
Author(s):  
Hongxia Zhu ◽  
Xiaolei Zhao ◽  
Huanhuan Li ◽  
Ruiqi Zhao
Keyword(s):  
Chemical Vapor Deposition ◽  
Boron Nitride ◽  
Vapor Deposition ◽  
Theoretical Study ◽  
Hexagonal Boron Nitride ◽  
Chemical Vapor ◽  
Chemical Vapor Deposition Growth ◽  
Magic Clusters ◽  
Dft Simulations

The stable geometries of both different-sized and magic clusters of CVD-prepared hexagonal BN on Ni(111)/Cu(111) are revealed based on DFT simulations.

Stability and properties of the two-dimensional hexagonal boron nitride monolayer functionalized by hydroxyl (OH) radicals: a theoretical study

2013 ◽  
Vol 19 (12) ◽  
pp. 5143-5152 ◽  
Author(s):  
Hong-mei Wang ◽  
Yue-jie Liu ◽  
Hong-xia Wang ◽  
Jing-xiang Zhao ◽  
Qing-hai Cai ◽  
...  
Keyword(s):  
Boron Nitride ◽  
Theoretical Study ◽  
Hexagonal Boron Nitride ◽  
Oh Radicals ◽  
Two Dimensional

Friction and a Tribochemical Reaction between Ice and Hexagonal Boron Nitride: A Theoretical Study

2008 ◽  
Vol 29 (2) ◽  
pp. 163-167 ◽  
Author(s):  
Jussi O. Koskilinna ◽  
Mikko Linnolahti ◽  
Tapani A. Pakkanen
Keyword(s):  
Boron Nitride ◽  
Theoretical Study ◽  
Hexagonal Boron Nitride ◽  
Tribochemical Reaction
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