Effects of the electric field on the properties of ZnO–graphene composites: a density functional theory study

Physical Chemistry Chemical Physics ◽

10.1039/c3cp52841c ◽

2014 ◽

Vol 16 (8) ◽

pp. 3542-3548 ◽

Author(s):

Wei Geng ◽

Xuefei Zhao ◽

Wenyan Zan ◽

Huanxiang Liu ◽

Xiaojun Yao

Keyword(s):

Density Functional Theory ◽

Electric Field ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density-functional-theory study of the electric-field-induced second harmonic generation (EFISHG) of push–pull phenylpolyenes in solution

Chemical Physics Letters ◽

10.1016/j.cplett.2006.04.112 ◽

2006 ◽

Vol 425 (4-6) ◽

pp. 267-272 ◽

Author(s):

Lara Ferrighi ◽

Luca Frediani ◽

Chiara Cappelli ◽

Paweł Sałek ◽

Hans Ågren ◽

...

Keyword(s):

Density Functional Theory ◽

Electric Field ◽

Second Harmonic Generation ◽

Harmonic Generation ◽

Density Functional ◽

Second Harmonic ◽

Density Functional Theory Study ◽

Functional Theory

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Hard x-ray photoemission and density functional theory study of the internal electric field in SrTiO3/LaAlO3oxide heterostructures

Physical Review B ◽

10.1103/physrevb.87.085128 ◽

2013 ◽

Vol 87 (8) ◽

Author(s):

E. Slooten ◽

Zhicheng Zhong ◽

H. J. A. Molegraaf ◽

P. D. Eerkes ◽

S. de Jong ◽

...

Keyword(s):

Density Functional Theory ◽

Electric Field ◽

Density Functional ◽

Internal Electric Field ◽

Density Functional Theory Study ◽

Functional Theory ◽

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Density Functional Theory Study on the Influence of Tensile Deformation and Electric Field on the Electrical Properties of Si Adsorbed on Black Phosphorene

Acta Physica Sinica ◽

10.7498/aps.70.20210812 ◽

2021 ◽

Vol 0 (0) ◽

pp. 0-0

Author(s):

◽

Keyword(s):

Density Functional Theory ◽

Electrical Properties ◽

Electric Field ◽

Density Functional ◽

Tensile Deformation ◽

Density Functional Theory Study ◽

Functional Theory ◽

Black Phosphorene

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Effect of External Electric Field on Methane Conversion on IrO2(110) Surface: A Density Functional Theory Study

ACS Catalysis ◽

10.1021/acscatal.9b01910 ◽

2019 ◽

Vol 9 (9) ◽

pp. 8230-8242 ◽

Author(s):

Chen-Hao Yeh ◽

Thong Minh Le Pham ◽

Santhanamoorthi Nachimuthu ◽

Jyh-Chiang Jiang

Keyword(s):

Density Functional Theory ◽

Electric Field ◽

External Electric Field ◽

Methane Conversion ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Electric field induced band modulation of WS2-GeC heterostructures for efficient photocatalytic water splitting: A density functional theory study

Materials Chemistry and Physics ◽

10.1016/j.matchemphys.2020.122732 ◽

2020 ◽

Vol 244 ◽

pp. 122732 ◽

Author(s):

Honglin Li ◽

Chaozhong Guo ◽

Yuanqiang Xiong ◽

Ying Yang

Keyword(s):

Density Functional Theory ◽

Electric Field ◽

Water Splitting ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Photocatalytic Water Splitting

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Lithium-doped (4,4) Boron nitride nanotube: Density functional theory study of N and B nuclear magnetic shielding and electric field gradient tensors

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2008.10.028 ◽

2009 ◽

Vol 895 (1-3) ◽

pp. 82-85 ◽

Author(s):

Ahmad Seif ◽

Asadollah Boshra ◽

Majid Seif

Keyword(s):

Density Functional Theory ◽

Boron Nitride ◽

Electric Field ◽

Electric Field Gradient ◽

Field Gradient ◽

Density Functional ◽

Magnetic Shielding ◽

Boron Nitride Nanotube ◽

Density Functional Theory Study ◽

Functional Theory

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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 ◽

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 of electric field effects on CO and OH adsorption and co-adsorption on gold surfaces

Electrochimica Acta ◽

10.1016/j.electacta.2012.12.061 ◽

2013 ◽

Vol 101 ◽

pp. 244-253 ◽

Author(s):

Andrey A. Koverga ◽

Stefan Frank ◽

Marc T.M. Koper

Keyword(s):

Density Functional Theory ◽

Electric Field ◽

Density Functional ◽

Co Adsorption ◽

Density Functional Theory Study ◽

Gold Surfaces ◽

Functional Theory ◽

Electric Field Effects ◽

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Electric field response of strongly correlated one-dimensional metals: A Bethe ansatz density functional theory study

Physical Review B ◽

10.1103/physrevb.82.245114 ◽

2010 ◽

Vol 82 (24) ◽

Author(s):

A. Akande ◽

S. Sanvito

Keyword(s):

Density Functional Theory ◽

Electric Field ◽

Bethe Ansatz ◽

Density Functional ◽

Strongly Correlated ◽

Density Functional Theory Study ◽

Functional Theory ◽

One Dimensional ◽

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B24N24 nanocages: a GIAO density functional theory study of 14N and 11B nuclear magnetic shielding and electric field gradient tensors

Monatshefte für Chemie - Chemical Monthly ◽

10.1007/s00706-008-0006-5 ◽

2008 ◽

Vol 140 (3) ◽

pp. 255-263 ◽

Author(s):

Goudarz Mohseni Rouzbehani ◽

Asadollah Boshra ◽

Ahmad Seif

Keyword(s):

Density Functional Theory ◽

Electric Field ◽

Electric Field Gradient ◽

Field Gradient ◽

Density Functional ◽

Magnetic Shielding ◽

Density Functional Theory Study ◽

Functional Theory ◽

Nuclear Magnetic

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