Insulator–half metal transition driven by hole doping: a density functional study of Sr-doped La2VMnO6

2014 ◽  
Vol 43 (23) ◽  
pp. 8698 ◽  
Author(s):  
Ningning Zu ◽  
Jing Wang ◽  
Ying Wang ◽  
Zhijian Wu
Keyword(s):  
Density Functional ◽  
Functional Study ◽  
Hole Doping ◽  
Density Functional Study ◽  
Half Metal

Density functional study on the hole doping of single-layer SnS2 with metal element X (X = Li, Mg, and Al)

2016 ◽  
Vol 18 (1) ◽  
pp. 318-324 ◽  
Author(s):  
Dandan Yu ◽  
Yanyu Liu ◽  
Lili Sun ◽  
Ping Wu ◽  
Wei Zhou
Keyword(s):  
Water Splitting ◽  
Density Functional ◽  
Single Layer ◽  
Functional Study ◽  
Hole Doping ◽  
Density Functional Study ◽  
Photo Oxidation ◽  
Overall Water Splitting ◽  
Metal Element

Li-doped single-layer SnS2 is active for overall water splitting whereas Mg(Al)-doped SnS2 is suitable only for photo-oxidation.

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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