Adsorption of hydrogen on novel Pt-doped BN nanotube: A density functional theory study

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2009.01.019 ◽

2009 ◽

Vol 901 (1-3) ◽

pp. 103-109 ◽

Author(s):

Xi Mao Li ◽

Wei Quan Tian ◽

Xu-Ri Huang ◽

Chia-Chung Sun ◽

Lei Jiang

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Bn Nanotube ◽

Adsorption Of Hydrogen

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Adsorption of hydrogen fluoride on SiC surfaces: A density functional theory study

Current Applied Physics ◽

10.1016/j.cap.2012.04.005 ◽

2012 ◽

Vol 12 ◽

pp. S42-S46 ◽

Author(s):

Pho Van Bui ◽

Kouji Inagaki ◽

Yasuhisa Sano ◽

Kazuto Yamauchi ◽

Yoshitada Morikawa

Keyword(s):

Density Functional Theory ◽

Hydrogen Fluoride ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Adsorption Of Hydrogen

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Adsorption of mercaptopurine drug on the BN nanotube, nanosheet and nanocluster: a density functional theory study

Molecular Physics ◽

10.1080/00268976.2018.1525504 ◽

2018 ◽

Vol 117 (5) ◽

pp. 531-538 ◽

Author(s):

Saeed Amir Aslanzadeh

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

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Adsorption of hydrogen and oxygen on graphdiyne and its BN analog sheets: A density functional theory study

Computational Materials Science ◽

10.1016/j.commatsci.2018.12.033 ◽

2019 ◽

Vol 160 ◽

pp. 197-206 ◽

Author(s):

Zhi Yang ◽

Yanni Zhang ◽

Mingzhi Guo ◽

Jiangni Yun

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Adsorption Of Hydrogen

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Potassium influence in the adsorption of hydrogen on graphene: A density functional theory study

Computational Materials Science ◽

10.1016/j.commatsci.2011.03.022 ◽

2011 ◽

Vol 50 (8) ◽

pp. 2427-2432 ◽

Author(s):

A. Tapia ◽

C. Acosta ◽

R.A. Medina-Esquivel ◽

G. Canto

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Adsorption Of Hydrogen

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Density functional theory study of the adsorption of hydrogen atoms on Cu2X (X = 3d) clusters

Chemical Physics Letters ◽

10.1016/j.cplett.2016.03.035 ◽

2016 ◽

Vol 651 ◽

pp. 137-143 ◽

Author(s):

Jiao Li ◽

Yanqi Liu ◽

Jingjing Zhang ◽

Xiaogang Liang ◽

Haiming Duan

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Hydrogen Atoms ◽

Functional Theory ◽

Adsorption Of Hydrogen

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Methylene imino radical H2CN : matrix isolation ESR and density functional theory study

Molecular Physics ◽

10.1080/002689799165107 ◽

1999 ◽

Vol 96 (6) ◽

pp. 993-1000 ◽

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

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A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.90513 ◽

2010 ◽

Vol 31 (1) ◽

pp. 49-55

Author(s):

Zhanhong CHEN ◽

Kaining DING ◽

Xianglan XU ◽

Junqian LI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study on the Relationship between Polymerization Activity and Substituent Electronic Effect of Polyolefin Catalysts

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.00126 ◽

2010 ◽

Vol 31 (9) ◽

pp. 1127-1131

Author(s):

Huayi LI ◽

Liaoyun ZHANG ◽

Youliang HU

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Electronic Effect ◽

Density Functional Theory Study ◽

Functional Theory ◽

The Relationship

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Density Functional Theory Study of the Gas Phase and Surface Reaction Kinetics for the MOVPE Growth of GaAs1–yBiy

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b10399 ◽

2020 ◽

Vol 124 (9) ◽

pp. 1682-1697

Author(s):

Ryan C. Lucas ◽

Dane Morgan ◽

Thomas F. Kuech

Keyword(s):

Density Functional Theory ◽

Reaction Kinetics ◽

Gas Phase ◽

Density Functional ◽

Surface Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Movpe Growth ◽

Surface Reaction Kinetics

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Structural Stability of Ruthenium Nanoparticles: A Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b08672 ◽

2017 ◽

Vol 121 (49) ◽

pp. 27445-27452 ◽

Author(s):

Yusuke Nanba ◽

Takayoshi Ishimoto ◽

Michihisa Koyama

Keyword(s):

Density Functional Theory ◽

Structural Stability ◽

Density Functional ◽

Density Functional Theory Study ◽

Ruthenium Nanoparticles ◽

Functional Theory

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