• 已选条件：
  • × Indian Academy of Sciences
  • × Bulletin of Materials Scienc
  • × density functional theory
 全选  【符合条件的数据共：5条】

1 Investigation of structural and luminescence properties of nanocrystalline tungsten-incorporated molybdenum disulphide ternary compounds: an experimental and DFT study [期刊论文]

来源：Bulletin of Materials Science , 2019

作者:P CHETRI^3, L CHETIA^1,2, D KALITA^1

关键词:Semiconductor;photoluminescence;...

使用许可:CC BY

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2 First principles study of breaking energy and mechanical strength of Kevlar-29 [期刊论文]

来源：Bulletin of Materials Science , 2019

作者:B KESHAV RAO^2, HARSHA VERMA^1

关键词:SIESTA;density functional theory;...

使用许可:CC BY

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3 Electrochemical potentials of layered oxide and olivine phosphate with aluminum substitution: A first principles study [期刊论文]

来源：Bulletin of Materials Science , 2013

作者:

关键词:Lithium ion battery;cathodes;...

使用许可:CC BY

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4 Influence of donor substitution at D−$\pi$−A architecture in efficient sensitizers for dye-sensitized solar cells: first-principle study [期刊论文]

来源：Bulletin of Materials Science , 2017

作者:

关键词:Organic dye;density functional theory;...

使用许可:CC BY

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5 Exchange–correlation errors at harmonic and anharmonic orders: the case of bulk Cu [期刊论文]

来源：Bulletin of Materials Science , 2003

作者:

关键词:Anharmonicity;density functional theory;...

使用许可:CC BY

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