Density-Functional Theory Study of the Structural, Stability and Spectrum Properties for Mg2Sin(n=1~9) Clusters

Acta Optica Sinica ◽

10.3788/aos201434.0316002 ◽

2014 ◽

Vol 34 (3) ◽

pp. 0316002

Author(s):

张帅 Zhang Shuai ◽

刘旭焱 Liu Xuyan ◽

王卓 Wang Zhuo ◽

李根全 Li Genquan ◽

卢成 Lu Cheng

Keyword(s):

Density Functional Theory ◽

Structural Stability ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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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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A Density Functional Theory Study on Structural Stability and Electronic Properties of CoxOy (x + y = 4–12) Nanoclusters

Advanced Science Engineering and Medicine ◽

10.1166/asem.2018.2242 ◽

2018 ◽

Vol 10 (7) ◽

pp. 814-818

Author(s):

Rajkamal Shastri ◽

Nidhi Awasthi ◽

Devesh Kumar ◽

Anil Kumar Yadav ◽

Diptarka Roy ◽

...

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Structural Stability ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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The electronic properties and structural stability of LaFeO3 oxide by niobium doping: A density functional theory study

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2020.12.202 ◽

2021 ◽

Vol 46 (13) ◽

pp. 9193-9198

Author(s):

Yongjun Zhou ◽

Zhe Lü ◽

Jingwei Li ◽

Shifeng Xu ◽

Dan Xu ◽

...

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Structural Stability ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

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Electro-Optical Properties and Structural Stability Perspectives of M3N and M2C2 (M = Sc, La) Clusters Encapsulated in B80 Fullerene: A Density Functional Theory Study

Journal of Electronic Materials ◽

10.1007/s11664-017-5813-1 ◽

2017 ◽

Vol 47 (1) ◽

pp. 550-565 ◽

Author(s):

Zabiollah Mahdavifar ◽

Mina Ershadifar ◽

Abdolhadi Farrokhnia

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Structural Stability ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study of structural stability for gas hydrate

Chinese Physics B ◽

10.1088/1674-1056/27/4/043103 ◽

2018 ◽

Vol 27 (4) ◽

pp. 043103

Author(s):

Ping Guo ◽

Yi-Long Qiu ◽

Long-Long Li ◽

Qiang Luo ◽

Jian-Fei Zhao ◽

...

Keyword(s):

Density Functional Theory ◽

Structural Stability ◽

Gas Hydrate ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Structural Stability and Magnetic and Electronic Properties ofCo2MnSi(001)/MgOHeterostructures: A Density-Functional Theory Study

Physical Review Letters ◽

10.1103/physrevlett.103.046802 ◽

2009 ◽

Vol 103 (4) ◽

Author(s):

Björn Hülsen ◽

Matthias Scheffler ◽

Peter Kratzer

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Structural Stability ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Gas phase structural stability of neutral and zwitterionic forms of alanine in presence of (H2O)n=1–7 clusters: A density functional theory study

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2012.09.010 ◽

2012 ◽

Vol 1002 ◽

pp. 16-23 ◽

Author(s):

Animesh K. Ojha ◽

Nidhi Vyas ◽

Satya P. Dubey

Keyword(s):

Density Functional Theory ◽

Gas Phase ◽

Structural Stability ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Structural stability of Lanthanum-based oxygen-deficient perovskites in redox catalysis: A density functional theory study

Catalysis Today ◽

10.1016/j.cattod.2018.04.070 ◽

2020 ◽

Vol 347 ◽

pp. 142-149 ◽

Author(s):

Qian Li ◽

Yun-Xiang Deng ◽

Yi-An Zhu ◽

Yang Li ◽

Zhi-Jun Sui ◽

...

Keyword(s):

Density Functional Theory ◽

Structural Stability ◽

Density Functional ◽

Redox Catalysis ◽

Density Functional Theory Study ◽

Functional Theory

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Magnetic ordering and structural stability of La2/3Sr1/3MnO3/SrTiO3(001) interfaces: A density-functional theory study

physica status solidi (b) ◽

10.1002/pssb.201248239 ◽

2012 ◽

Vol 250 (2) ◽

pp. 402-410

Author(s):

Li Yong Chen ◽

Chang Le Chen ◽

Ke Xin Jin ◽

Su Fang Wang ◽

Xiu Juan Du

Keyword(s):

Density Functional Theory ◽

Structural Stability ◽

Density Functional ◽

Magnetic Ordering ◽

Density Functional Theory Study ◽

Functional Theory

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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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