Structures and Electronic States of Water Molecules on Graphene Surface: A Density Functional Theory Study

Shigeaki Abe; Yoshinori Nagoya; Fumio Watari; Hiroto Tachikawa

doi:10.1143/jjap.49.06gj13

Structures and Electronic States of Water Molecules on Graphene Surface: A Density Functional Theory Study

Japanese Journal of Applied Physics ◽

10.1143/jjap.49.06gj13 ◽

2010 ◽

Vol 49 (6) ◽

pp. 06GJ13 ◽

Cited By ~ 7

Author(s):

Shigeaki Abe ◽

Yoshinori Nagoya ◽

Fumio Watari ◽

Hiroto Tachikawa

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Electronic States ◽

Water Molecules ◽

Density Functional Theory Study ◽

Functional Theory ◽

Graphene Surface

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Acta Physica Sinica ◽

10.7498/aps.54.5350 ◽

2005 ◽

Vol 54 (11) ◽

pp. 5350

Author(s):

Cai Jian-Qiu ◽

Tao Xiang-Ming ◽

Chen Wen-Bin ◽

Zhao Xin-Xin ◽

Tan Ming-Qiu

Keyword(s):

Density Functional Theory ◽

Atomic Structure ◽

Density Functional ◽

Electronic States ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study for adsorption of oxygen and water molecules on 6H-SiC(0001) surface

Chinese Journal of Chemical Physics ◽

10.1063/1674-0068/cjcp1810239 ◽

2019 ◽

Vol 32 (4) ◽

pp. 451-456

Author(s):

Chun-he Fu ◽

Hui-li Lu ◽

Shao-rui Sun

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Water Molecules ◽

Density Functional Theory Study ◽

Functional Theory

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A novel experimental and density functional theory study on palladium and nitrogen doped few layer graphene surface towards glucose adsorption and electrooxidation

Journal of Physics and Chemistry of Solids ◽

10.1016/j.jpcs.2020.109684 ◽

2021 ◽

Vol 150 ◽

pp. 109684

Author(s):

Aykut Caglar ◽

Derya Düzenli ◽

Isık Onal ◽

Ilker Tezsevin ◽

Ozlem Sahin ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Graphene Surface ◽

Nitrogen Doped ◽

Layer Graphene ◽

Few Layer Graphene

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Density functional theory study on the interaction of magnesium ions with graphene surface

Japanese Journal of Applied Physics ◽

10.7567/jjap.53.02bd02 ◽

2014 ◽

Vol 53 (2S) ◽

pp. 02BD02 ◽

Cited By ~ 2

Author(s):

Koichi Kato ◽

Tetsuji Iyama ◽

Hiroto Tachikawa

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Magnesium Ions ◽

Density Functional Theory Study ◽

Functional Theory ◽

Graphene Surface

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A density functional theory study on the degradation mechanism of thin film of organic semiconductor by water molecules

Thin Solid Films ◽

10.1016/j.tsf.2007.08.108 ◽

2008 ◽

Vol 516 (10) ◽

pp. 3287-3293 ◽

Cited By ~ 7

Author(s):

Hiroto Tachikawa ◽

Hiroshi Kawabata

Keyword(s):

Thin Film ◽

Density Functional Theory ◽

Organic Semiconductor ◽

Density Functional ◽

Degradation Mechanism ◽

Water Molecules ◽

Density Functional Theory Study ◽

Functional Theory

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Intramolecular cyclization of aspartic acid residues assisted by three water molecules: a density functional theory study

Computational Science & Discovery ◽

10.1088/1749-4699/7/1/015005 ◽

2014 ◽

Vol 7 (1) ◽

pp. 015005 ◽

Cited By ~ 11

Author(s):

Ohgi Takahashi ◽

Ryota Kirikoshi

Keyword(s):

Density Functional Theory ◽

Aspartic Acid ◽

Intramolecular Cyclization ◽

Density Functional ◽

Water Molecules ◽

Density Functional Theory Study ◽

Functional Theory

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Strain Effect on the Dissociation of Water Molecules on Silicene: Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.9b00426 ◽

2019 ◽

Vol 123 (18) ◽

pp. 11591-11601 ◽

Cited By ~ 7

Author(s):

Quanguo Jiang ◽

Jianfeng Zhang ◽

Huajie Huang ◽

Yuping Wu ◽

Zhimin Ao

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Strain Effect ◽

Water Molecules ◽

Density Functional Theory Study ◽

Functional Theory

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Interaction of Hydroxyl OH Radical with Graphene Surface: A Density Functional Theory Study

Japanese Journal of Applied Physics ◽

10.7567/jjap.52.01ah01 ◽

2013 ◽

Vol 52 (1S) ◽

pp. 01AH01 ◽

Cited By ~ 5

Author(s):

Hiroto Tachikawa ◽

Tetsuji Iyama ◽

Hiroshi Kawabata

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Oh Radical ◽

Density Functional Theory Study ◽

Functional Theory ◽

Graphene Surface

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Structures and Electronic States of Permethyloligosilane Radical Ions with All-Trans Form Sin(CH3)2n+2± (n = 2−6): A Density Functional Theory Study

Journal of Chemical Theory and Computation ◽

10.1021/ct600163r ◽

2006 ◽

Vol 3 (1) ◽

pp. 184-193 ◽

Cited By ~ 10

Author(s):

Hiroto Tachikawa ◽

Hiroshi Kawabata

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Electronic States ◽

Density Functional Theory Study ◽

Radical Ions ◽

Trans Form ◽

Functional Theory

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Density Functional Theory Study of the Complexation of the Uranyl Dication with Anionic Phosphate Ligands with and without Water Molecules

The Journal of Physical Chemistry A ◽

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2013 ◽

Vol 117 (36) ◽

pp. 8939-8957 ◽

Cited By ~ 16

Author(s):

Virgil E. Jackson ◽

Keith E. Gutowski ◽

David A. Dixon

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Water Molecules ◽

Density Functional Theory Study ◽

Functional Theory ◽

Phosphate Ligands

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