Point defects in twisted bilayer graphene: A density functional theory study

Kanchan Ulman; Shobhana Narasimhan

doi:10.1103/physrevb.89.245429

Point defects in twisted bilayer graphene: A density functional theory study

Physical Review B ◽

10.1103/physrevb.89.245429 ◽

2014 ◽

Vol 89 (24) ◽

Cited By ~ 14

Author(s):

Kanchan Ulman ◽

Shobhana Narasimhan

Keyword(s):

Density Functional Theory ◽

Point Defects ◽

Density Functional ◽

Bilayer Graphene ◽

Density Functional Theory Study ◽

Functional Theory ◽

Twisted Bilayer Graphene

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Density functional theory study on concentration of intrinsic point defects in growing N-doped Czochralski Si crystal

Journal of Crystal Growth ◽

10.1016/j.jcrysgro.2021.126249 ◽

2021 ◽

pp. 126249

Author(s):

Motoharu Taniguchi ◽

Koji Sueoka ◽

Masataka Hourai

Keyword(s):

Density Functional Theory ◽

Point Defects ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Intrinsic Point Defects

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Single-site point defects in semimetal WTe2: A density functional theory study

AIP Advances ◽

10.1063/1.5057723 ◽

2018 ◽

Vol 8 (12) ◽

pp. 125323 ◽

Cited By ~ 1

Author(s):

Hong-Yue Song ◽

Jing-Tao Lü

Keyword(s):

Density Functional Theory ◽

Point Defects ◽

Density Functional ◽

Single Site ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study of hydrogen sulfide adsorption onto transition metal-doped bilayer graphene using external electric fields

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2020.114252 ◽

2020 ◽

Vol 124 ◽

pp. 114252 ◽

Cited By ~ 1

Author(s):

You Xie ◽

Song Cao ◽

Xiu Wu ◽

Bing-Yi Yu ◽

Li-Yong Chen ◽

...

Keyword(s):

Density Functional Theory ◽

Hydrogen Sulfide ◽

Transition Metal ◽

Electric Fields ◽

Density Functional ◽

Bilayer Graphene ◽

Density Functional Theory Study ◽

Functional Theory ◽

External Electric Fields ◽

Metal Doped

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Density functional theory study of point defects in the Si?SiO2 system and in substoichiometric titanium dioxide TiO2?x

International Journal of Quantum Chemistry ◽

10.1002/qua.10846 ◽

2004 ◽

Vol 99 (5) ◽

pp. 677-684 ◽

Cited By ~ 9

Author(s):

N. Capron ◽

G. Boureau

Keyword(s):

Density Functional Theory ◽

Titanium Dioxide ◽

Point Defects ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Sio2 System

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Effect of point defects on acetylene hydrogenation reaction over Ni(111) surface: a density functional theory study

Physical Chemistry Chemical Physics ◽

10.1039/d1cp03599a ◽

2021 ◽

Author(s):

Pan Yin ◽

Yao Jie ◽

Xiao-Jie Zhao ◽

Yu-Liang Feng ◽

Tao Sun ◽

...

Keyword(s):

Density Functional Theory ◽

Dft Calculations ◽

Point Defects ◽

Density Functional ◽

Hydrogenation Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Acetylene Hydrogenation

Density functional theory (DFT) calculations are carried out to investigate the effect of point defects on acetylene hydrogenation reaction over Ni(111) surface with three different defect concentrations (DC = 0.0500, 0.0625, and 0.0833), compared with the perfect Ni(111) surface.

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Density functional theory study of dopant and thermal stress effect on forming intrinsic point defects in Ge crystal

The Proceedings of The Computational Mechanics Conference ◽

10.1299/jsmecmd.2016.29.060 ◽

2016 ◽

Vol 2016.29 (0) ◽

pp. 060

Author(s):

Shunta YAMAOKA ◽

Koji KOBAYASHI ◽

Koji SUEOKA

Keyword(s):

Density Functional Theory ◽

Thermal Stress ◽

Point Defects ◽

Density Functional ◽

Stress Effect ◽

Density Functional Theory Study ◽

Functional Theory ◽

Intrinsic Point Defects

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First-principles density functional theory study of native point defects in Bi2Te3

Physical Review B ◽

10.1103/physrevb.84.144117 ◽

2011 ◽

Vol 84 (14) ◽

Cited By ~ 96

Author(s):

Adham Hashibon ◽

Christian Elsässer

Keyword(s):

Density Functional Theory ◽

Point Defects ◽

First Principles ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Native Point Defects

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A comparative investigation of an AB- and AA-stacked bilayer graphene sheet under an applied electric field: A density functional theory study

Chinese Physics B ◽

10.1088/1674-1056/21/6/067301 ◽

2012 ◽

Vol 21 (6) ◽

pp. 067301 ◽

Cited By ~ 19

Author(s):

Tao Wang ◽

Qing Guo ◽

Yan Liu ◽

Kuang Sheng

Keyword(s):

Density Functional Theory ◽

Electric Field ◽

Graphene Sheet ◽

Applied Electric Field ◽

Density Functional ◽

Bilayer Graphene ◽

Comparative Investigation ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study the effects of point defects in β-In2S3

Computational Materials Science ◽

10.1016/j.commatsci.2013.02.027 ◽

2013 ◽

Vol 73 ◽

pp. 139-145 ◽

Cited By ~ 7

Author(s):

Zongyan Zhao ◽

Juan Yi ◽

Dacheng Zhou

Keyword(s):

Density Functional Theory ◽

Point Defects ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density-Functional Theory Study of Point Defects in Bi2Te3

Thermoelectric Bi2Te3Nanomaterials ◽

10.1002/9783527672608.ch9 ◽

2015 ◽

pp. 165-186

Author(s):

Adham Hashibon ◽

Christian Elsässer

Keyword(s):

Density Functional Theory ◽

Point Defects ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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