A density‐functional study of cluster reactivity: Ammonia reacting with a free Ga5As5 cluster

1994 ◽  
Vol 101 (10) ◽  
pp. 8922-8927 ◽  
Author(s):  
J. Mackey ◽  
L. Lou ◽  
P. Nordlander ◽  
R. E. Smalley
Keyword(s):  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Cluster Reactivity

A density‐functional study of cluster reactivity. III. NH3 on a free Ga5As+5 cationic cluster

1996 ◽  
Vol 104 (4) ◽  
pp. 1477-1482 ◽  
Author(s):  
H. C. Akpati ◽  
J. Mackey ◽  
P. Nordlander ◽  
L. Lou
Keyword(s):  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Cluster Reactivity

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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