Density Functional Study of the Thermodynamics of Hydrogen Production by Tetrairon Hexathiolate, Fe4[MeC(CH2S)3]2(CO)8, a Hydrogenase Model

2010 ◽  
Vol 49 (12) ◽  
pp. 5737-5747 ◽  
Author(s):  
Panida Surawatanawong ◽  
Michael B. Hall
Keyword(s):  
Hydrogen Production ◽  
Density Functional ◽  
Functional Study ◽  
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.

Sign in / Sign up

Export Citation Format

Share Document