Density functional study of aurophilic interaction in [X(AuPH3)2+]2 (X = F, Cl, Br, I)

2009 ◽  
Vol 11 (27) ◽  
pp. 5796 ◽  
Author(s):  
Hua Fang ◽  
Xiao-Gang Zhang ◽  
Shu-Guang Wang
Keyword(s):  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Aurophilic Interaction

scholarly journals Effect of the number of nitrogen dopants on the electronic and magnetic properties of graphitic and pyridinic N-doped graphene – a density-functional study

RSC Advances ◽  
2021 ◽  
Vol 11 (30) ◽  
pp. 18371-18380
Author(s):  
Erik Bhekti Yutomo ◽  
Fatimah Arofiati Noor ◽  
Toto Winata
Keyword(s):  
Magnetic Properties ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Electronic And Magnetic Properties ◽  
Doped Graphene ◽  
Dopant Atoms ◽  
Pyridinic N

The number of dopant atoms is a parameter that can effectively tune the electronic and magnetic properties of graphitic and pyridinic N-doped graphene.

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