Density functional theory study on magnetically detecting positively charged nitrogen-vacancy center in diamond

2019 ◽  
Vol 100 (10) ◽  
Author(s):  
Claire J. Meara ◽  
Mark J. Rayson ◽  
Patrick R. Briddon ◽  
Jonathan P. Goss
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Nitrogen Vacancy ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Nitrogen Vacancy Center ◽  
Positively Charged ◽  
Vacancy Center

Theoretical study of the interaction between molecular hydrogen and [MC60]+ complexes

RSC Advances ◽  
2016 ◽  
Vol 6 (33) ◽  
pp. 27447-27451 ◽  
Author(s):  
Maitreyi Robledo ◽  
Sergio Díaz-Tendero ◽  
Fernando Martín ◽  
Manuel Alcamí
Keyword(s):  
Density Functional Theory ◽  
Molecular Hydrogen ◽  
Density Functional ◽  
Theoretical Study ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Hydrogen Molecules ◽  
Positively Charged

In this work we present a density functional theory study of the interaction between a positively charged exohedral metallofullerene and several hydrogen molecules.

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