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  • × Indian Academy of Sciences
  • × density functional theory
 全选  【符合条件的数据共：38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 Density functional theory of influence of methane adsorption on the electronic properties of a PbS cluster [期刊论文]

来源：Pramana: Journal of physics , 2019

作者:R SAFAIEE^2, A MOSAHEBFARD^1

关键词:Lead sulphide;methane gas sensing;...

使用许可:CC BY

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4 Investigation on the electrical and optical properties of some zinc titanate ceramics [期刊论文]

来源：Pramana: Journal of physics , 2019

作者:KUNTAL MITRA^3, MITESH CHAKRABORTY^1, VINEET KUMAR RAI^2

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

使用许可:CC BY

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5 Effect of tensile and compressive strain on the magnetic ordering of the $\rm{(LaMnO_{3})_{1}/(SrTiO_{3})_{1}}$ superlattice [期刊论文]

来源：Pramana: Journal of physics , 2018

作者:A AEZAMI^1

关键词:Superlattice supercell;$\rm{(LaMnO_{3})_{1}/(SrTiO_{3})_{1}}$ superlattices;...

使用许可:CC BY

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6 $N_2$ adsorption on the inside and outside the single-walled carbon nanotubes by density functional theory study [期刊论文]

来源：Pramana: Journal of physics , 2018

作者:FAHIMEH SHOJAIE^1

关键词:Single-walled carbon nanotubes;nitrogen-doped single-walled carbon nanotubes;...

使用许可:CC BY

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