scholarly journals A density functional study of bare and hydrogenated platinum clusters

2006 ◽  
Vol 331 (1) ◽  
pp. 9-18 ◽  
Author(s):  
Ali Sebetci
Keyword(s):  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Platinum Clusters

Small Platinum Clusters in Zeolites:  A Density Functional Study of CO Adsorption on Electronically Modified Models

1999 ◽  
Vol 103 (1) ◽  
pp. 216-226 ◽  
Author(s):  
Anna Maria Ferrari ◽  
Konstantin M. Neyman ◽  
Thomas Belling ◽  
Markus Mayer ◽  
Notker Rösch
Keyword(s):  
Density Functional ◽  
Co Adsorption ◽  
Functional Study ◽  
Density Functional Study ◽  
Platinum Clusters

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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