A density functional study of the electronic and geometrical structures of [RuCl2(PPh3)2(HPz)2] isomers and electronic spectrum of cis, cis, cis complex

2006 ◽  
Vol 784 (1-3) ◽  
pp. 169-176 ◽  
Author(s):  
M. Jaworska ◽  
J.G. Malecki
Keyword(s):  
Electronic Spectrum ◽  
Density Functional ◽  
Functional Study ◽  
Geometrical Structures ◽  
Density Functional Study

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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