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
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;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 SciencesWensheng 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
Assessing Ni2(dobpdc) Anchoring for Mitigating Lithium Polysulfide Dissolution in Lithium–Sulfur Batteries
- ジャーナル論文
- 著者
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Kuan-Yu Lin (author) (この著者で検索)
https://orcid.org/0000-0002-2426-5543
(unauthenticated)
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;Mei-Ru Lai (author) (この著者で検索);Minoru Otani (author) (この著者で検索)Tsuyoshi Miyazaki (author) (この著者で検索)National Institute for Materials Science
;
Jyh-Chiang Jiang (author) (この著者で検索) - キーワード
- Li-S battery, DFT, 3D-RISM, MOF
- 刊行年月日
- 2024-10-03
- 更新時刻
- 2024-11-21 16:30:34 +0900
Engineering the electronic properties of MoTe2 via defect control
- ジャーナル論文
- 著者
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;Celal Yelgel (author) (この著者で検索)Övgü C. Yelgel (author) (この著者で検索)The Computational Modelling Laboratory, Recep Tayyip Erdogan University,
- キーワード
- Transition metal dichalcogenides, DFT, MoTe2, defect control, electronic properties
- 刊行年月日
- 2024-12-31
- 更新時刻
- 2025-07-16 16:14:08 +0900