Charge transport and prototypical optical absorptions in functionalized zinc phthalocyanine compounds: A density functional study

2017 ◽  
Vol 31 (4) ◽  
pp. e3785 ◽  
Author(s):  
Smruti Ranjan Sahoo ◽  
Sridhar Sahu ◽  
Sagar Sharma
Keyword(s):  
Charge Transport ◽  
Density Functional ◽  
Zinc Phthalocyanine ◽  
Functional Study ◽  
Density Functional Study

A molecular heterojunction of zinc phthalocyanine and peanut-shaped fullerene polymer: A density functional study

2017 ◽  
Vol 686 ◽  
pp. 68-73 ◽  
Author(s):  
Kousei Tanikawa ◽  
Kaoru Ohno ◽  
Yusuke Noda ◽  
Shota Ono ◽  
Riichi Kuwahara ◽  
...  
Keyword(s):  
Density Functional ◽  
Zinc Phthalocyanine ◽  
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.

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