キーワード: DFT

2 件のレコードが見つかりました。 1件目から2件目まで表示します。

2024A00771G_accepted_manuscript.pdf
Understanding the interplay of defects, oxygen, and strain in 2D materials for next-generation optoelectronics
ジャーナル論文
著者
Keerthana S Kumar (author) (この著者で検索)
;
Ajit Kumar Dash (author) (この著者で検索)
;
Hasna Sabreen H (author) (この著者で検索)
;
Manvi Verma (author) (この著者で検索)
;
Vivek Kumar (author) (この著者で検索)
;
Kenji Watanabe (author) (この著者で検索)
ORCID SAMURAI ;
Takashi Taniguchi (author) (この著者で検索)
ORCID SAMURAI ;
Gopalakrishnan Sai Gautam (author) (この著者で検索)
;
Akshay Singh (author) (この著者で検索)
キーワード
MoS2, strain, defects, 2D materials, optical spectroscopy, DFT, oxygen
刊行年月日
2024-10-01
更新時刻
2025-08-30 08:30:17 +0900

Theoretically designed M diaza 2.2.2 cryptand complexes the role of non-covalent interactions in promoting NLO properties of organic electrides.pdf
Theoretically designed M@diaza[2.2.2]cryptand complexes: the role of non-covalent interactions in promoting NLO properties of organic electrides
ジャーナル論文
著者
Atazaz Ahsin (author) (この著者で検索)
Toyota Central R&D Labs. Inc
;
Aamna Qamar (author) (この著者で検索)
;
Qing Lu (author) (この著者で検索)
Chinese Academy of Sciences Beijing National Laboratory for Molecular Sciences
;
Wensheng Bian (author) (この著者で検索)
Chinese Academy of Sciences Beijing National Laboratory for Molecular Sciences
キーワード
Electrides, Excess electrons, Optoelectronic, Molecular dynamics, DFT
刊行年月日
2024-12-31
更新時刻
2024-06-03 16:30:17 +0900

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