Effect of intrinsic defects on electronic structure of bilayer graphene: First-principles calculations

2011 ◽  
Vol 43 (9) ◽  
pp. 1597-1601 ◽  
Author(s):  
Ting Li ◽  
Xianqiong Tang ◽  
Zhi Liu ◽  
Ping Zhang
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
Bilayer Graphene ◽  
First Principles Calculations ◽  
Intrinsic Defects

Electronic structure and optical characteristics of AA stacked bilayer graphene: A first principles calculations

Optik ◽  
2020 ◽  
Vol 206 ◽  
pp. 163755 ◽  
Author(s):  
A. Laref ◽  
M. Alsagri ◽  
Syed Muhammad Alay-e-Abbas ◽  
S. Laref ◽  
H.M. Huang ◽  
...  
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
Bilayer Graphene ◽  
Optical Characteristics ◽  
First Principles Calculations

Electronic Structure and X-ray Absorption Spectra of Rutile TiO2 Using First-Principles Calculations

2014 ◽  
Vol 52 (12) ◽  
pp. 1025-1029
Author(s):  
Min-Wook Oh ◽  
Tae-Gu Kang ◽  
Byungki Ryu ◽  
Ji Eun Lee ◽  
Sung-Jae Joo ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Absorption Spectra ◽  
First Principles ◽  
First Principles Calculations ◽  
Rutile Tio2 ◽  
X Ray ◽  
X Ray Absorption

scholarly journals Intrinsic Defects in LiMn2O4: First-Principles Calculations

ACS Omega ◽  
2021 ◽  
Author(s):  
Xu Li ◽  
Jianchuan Wang ◽  
Shiwei Zhang ◽  
Lixian Sun ◽  
Weibin Zhang ◽  
...  
Keyword(s):  
First Principles ◽  
First Principles Calculations ◽  
Intrinsic Defects

Electronic structure modulation of NiS2 by transition metal doping for accelerating the hydrogen evolution reaction

2019 ◽  
Vol 7 (9) ◽  
pp. 4971-4976 ◽  
Author(s):  
Tongtong Wang ◽  
Xiaosong Guo ◽  
Jingyan Zhang ◽  
Wen Xiao ◽  
Pinxian Xi ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Catalytic Activity ◽  
Transition Metal ◽  
Hydrogen Evolution Reaction ◽  
Systematic Study ◽  
First Principles ◽  
Transition Metal Doping ◽  
First Principles Calculations ◽  
Structure Modulation ◽  
Metal Doped

We give a systematic study of the HER catalytic activity of transition metal doped NiS2 by first principles calculations and experiments.

Electronic Structure and Optical Properties of a Mn-Doped InSe/WSe2 van der Walls Heterostructure: First Principles Calculations

2020 ◽  
Vol 77 (7) ◽  
pp. 587-591
Author(s):  
Rundong Liang ◽  
Xiuwen Zhao ◽  
Guichao Hu ◽  
Weiwei Yue ◽  
Xiaobo Yuan ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
First Principles ◽  
First Principles Calculations ◽  
Mn Doped

The electronic structure of defect chalcopyrite CdGa2Se4 as determined from first principles calculations and X-ray spectroscopy studies

2015 ◽  
Vol 56 (3) ◽  
pp. 492-496 ◽  
Author(s):  
A. A. Lavrentyev ◽  
B. V. Gabrelian ◽  
P. N. Shkumat ◽  
I. Ya. Nikiforov ◽  
O. V. Parasyuk ◽  
...  
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
First Principles Calculations ◽  
X Ray ◽  
Spectroscopy Studies
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