First-principles study of nitrogen-doped nanographene as an efficient charge transport and nonlinear optical material

Shabbir Muhammad; Aijaz Rasool Chaudhry; Ahmad Irfan; Abdullah G. Al-Sehemi

doi:10.1039/c7ra02455j

First-principles study of nitrogen-doped nanographene as an efficient charge transport and nonlinear optical material

RSC Advances ◽

10.1039/c7ra02455j ◽

2017 ◽

Vol 7 (58) ◽

pp. 36632-36643 ◽

Cited By ~ 15

Author(s):

Shabbir Muhammad ◽

Aijaz Rasool Chaudhry ◽

Ahmad Irfan ◽

Abdullah G. Al-Sehemi

Keyword(s):

Charge Transport ◽

First Principles ◽

Nonlinear Optical ◽

Optical Material ◽

Nonlinear Optical Material ◽

Nitrogen Doped ◽

First Principles Study ◽

Efficient Charge ◽

Nitrogen Doped Graphene ◽

Doped Graphene

The prospective of nitrogen doped graphene (NDG) as useful nonlinear optical (NLO) and charge transport materials is explored using first principles methods.

Download Full-text

Exploring the potential of boron-doped nanographene as efficient charge transport and nonlinear optical material: A first-principles study

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2017.05.017 ◽

2017 ◽

Vol 75 ◽

pp. 209-219 ◽

Cited By ~ 20

Author(s):

Ahmad Irfan ◽

Aijaz Rasool Chaudhry ◽

Shabbir Muhammad ◽

Abdullah G. Al-Sehemi

Keyword(s):

Charge Transport ◽

First Principles ◽

Nonlinear Optical ◽

Optical Material ◽

Nonlinear Optical Material ◽

First Principles Study ◽

Boron Doped ◽

Efficient Charge

Download Full-text

Improving hydrogen evolution reaction performance by combining ditungsten carbide and nitrogen-doped graphene: A first-principles study

Carbon ◽

10.1016/j.carbon.2020.10.003 ◽

2021 ◽

Vol 172 ◽

pp. 122-131

Author(s):

Bo Zhang ◽

Xiuli Fu ◽

Li Song ◽

Xiaojun Wu

Keyword(s):

Hydrogen Evolution ◽

Hydrogen Evolution Reaction ◽

First Principles ◽

Nitrogen Doped ◽

First Principles Study ◽

Nitrogen Doped Graphene ◽

Doped Graphene ◽

Reaction Performance

Download Full-text

Nitrogen-doped graphene nanosheets as anode materials for lithium ion batteries: a first-principles study

Journal of Materials Chemistry ◽

10.1039/c2jm00166g ◽

2012 ◽

Vol 22 (18) ◽

pp. 8911 ◽

Cited By ~ 379

Author(s):

Congcong Ma ◽

Xiaohong Shao ◽

Dapeng Cao

Keyword(s):

Lithium Ion Batteries ◽

First Principles ◽

Anode Materials ◽

Graphene Nanosheets ◽

Lithium Ion ◽

Nitrogen Doped ◽

First Principles Study ◽

Nitrogen Doped Graphene ◽

Doped Graphene

Download Full-text

First-Principles Study of Boron- and Nitrogen-Doped Graphene in the Presence of Point Surface Defects

Journal of Computational and Theoretical Nanoscience ◽

10.1166/jctn.2013.3171 ◽

2013 ◽

Vol 10 (9) ◽

pp. 2080-2087 ◽

Cited By ~ 1

Author(s):

Khaldoun Tarawneh ◽

Nabil Al-Aqtash

Keyword(s):

First Principles ◽

Surface Defects ◽

Nitrogen Doped ◽

First Principles Study ◽

Nitrogen Doped Graphene ◽

Doped Graphene

Download Full-text

Structural stability and O2 dissociation on nitrogen-doped graphene with transition metal atoms embedded: A first-principles study

AIP Advances ◽

10.1063/1.4922841 ◽

2015 ◽

Vol 5 (6) ◽

pp. 067136 ◽

Cited By ~ 20

Author(s):

Mingye Yang ◽

Lu Wang ◽

Min Li ◽

Tingjun Hou ◽

Youyong Li

Keyword(s):

Transition Metal ◽

Structural Stability ◽

First Principles ◽

Nitrogen Doped ◽

First Principles Study ◽

Metal Atoms ◽

Transition Metal Atoms ◽

Nitrogen Doped Graphene ◽

Doped Graphene ◽

O2 Dissociation

Download Full-text

Adsorption of Molecules on Nitrogen-Doped Graphene: A First-Principles Study

Proceedings of the International Symposium “Nanoscience and Quantum Physics 2012” (nanoPHYS’12) ◽

10.7566/jpscp.4.012002 ◽

2015 ◽

Author(s):

Yoshitaka Fujimoto ◽

Susumu Saito

Keyword(s):

First Principles ◽

Nitrogen Doped ◽

First Principles Study ◽

Nitrogen Doped Graphene ◽

Doped Graphene

Download Full-text

Electronic properties of boron- and nitrogen-doped graphene: a first principles study

Journal of Nanoparticle Research ◽

10.1007/s11051-012-1059-2 ◽

2012 ◽

Vol 14 (8) ◽

Cited By ~ 72

Author(s):

Sugata Mukherjee ◽

T. P. Kaloni

Keyword(s):

Electronic Properties ◽

First Principles ◽

Nitrogen Doped ◽

First Principles Study ◽

Nitrogen Doped Graphene ◽

Doped Graphene

Download Full-text

First-principles study of electronic and optical properties of boron and nitrogen doped graphene

10.1063/1.4983600 ◽

2017 ◽

Cited By ~ 2

Author(s):

Rafique Muhammad ◽

Yong Shuai ◽

Tan He-Ping

Keyword(s):

Optical Properties ◽

First Principles ◽

Electronic And Optical Properties ◽

Nitrogen Doped ◽

First Principles Study ◽

Nitrogen Doped Graphene ◽

Doped Graphene

Download Full-text

First-principles study of reduction mechanism of oxygen molecule using nitrogen doped graphene as cathode material for lithium air batteries

Acta Physica Sinica ◽

10.7498/aps.68.20190181 ◽

2019 ◽

Vol 68 (12) ◽

pp. 128801

Author(s):

Bin-Peng Hou ◽

Zuo-Liang Gan ◽

Xue-Ling Lei ◽

Shu-Ying Zhong ◽

Bo Xu ◽

...

Keyword(s):

Cathode Material ◽

First Principles ◽

Oxygen Molecule ◽

Reduction Mechanism ◽

Nitrogen Doped ◽

First Principles Study ◽

Nitrogen Doped Graphene ◽

Doped Graphene ◽

Lithium Air Batteries

Download Full-text

V-doping in a potential nonlinear optical material Sr2Nb2O7 for increasing the SHG response: A first-principles study

Chemical Physics Letters ◽

10.1016/j.cplett.2018.08.015 ◽

2018 ◽

Vol 708 ◽

pp. 117-122 ◽

Cited By ~ 1

Author(s):

Huijuan Jing ◽

Yuman Peng ◽

Zuju Ma ◽

Jun Li ◽

Chao He ◽

...

Keyword(s):

First Principles ◽

Nonlinear Optical ◽

Optical Material ◽

Nonlinear Optical Material ◽

First Principles Study

Download Full-text