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A density functional investigation on the structures, electronic, spectral and fluxional properties of VB-₂₀ cluster

文章来源：J. Mol. Liq. 339, 116764 (2021) 作者：Chenggang Li, Huiji Li, Yingqi Cui, Hao Tian, Qinq

Lowest-energy structural and electronic properties of CunZr_13−n (n = 3–10) clusters in metallic glasses via CALYPSO search and density functional theory calculations

文章来源：J. Mol. Liq. 343, 117603 (2021) 作者：Yuanqi Jiang, Jian Lv, Weixian He and PingPeng

Structural and electronic properties of neutral and anionic magnesium clusters doped with two barium atoms

文章来源：J. Mol. Liq. (2021) 作者：Qing Yang Li, Yan Fei Hu, Song Guo Xi, Yuan Yuan L

Free-Standing, Robust, and Stable Li+ Conductive Li(Sr,Zr)₂(PO₄)₃/PEO Composite Electrolytes for Solid-State Batteries

文章来源：ACS Appl. Energy Mater. (2021) 作者：Hyemin Park, Eun Gyu Lee, So-Yeon Kim, Si Jin Seon

Revisiting the Structural Evolution of MoS₂ During Alkali Metal (Li, Na, and K) Intercalation

文章来源：ACS Appl. Energy Mater. (2021) 作者：Gang Wang, Yunwei Zhang, Hae Sung Cho, Xiaowen Zha

Free-Standing, Robust, and Stable Li⁺ Conductive Li(Sr,Zr)₂(PO₄)₃/PEO Composite Electrolytes for Solid-State Batteries

文章来源：ACS Appl. Energy Mater. (2021) 作者：Hyemin Park, Eun Gyu Lee, So-Yeon Kim, Si Jin Seon

Theoretical study on the structural evolution and hydrogen storage in NbH_n (n=2-15) clusters

文章来源：Int. J. Hydrogen Energy (2021) 作者：Wenli Zhou, Siyu Jin, Wei Dai, Jonathan T. Lyon an

Insights into the Microstructures and Energy Levels of Pr³⁺-Doped YAlO₃ Scintillating Crystals

文章来源：Inorg. Chem. (2021) 作者：Meng Ju, Hao Liang, Yongsheng Zhu, Yau-yuen Yeung,

New Cadmium−Nitrogen Compounds at High Pressures

文章来源：Inorg. Chem. (2021) 作者：Shifeng Niu, Zhihui Li, Haiyan Li, Xuhan Shi, Zhen

Retainable Superconductivity and Structural Transition in 1T-TaSe₂ Under High Pressure

文章来源：Inorg. Chem. (2021) 作者：Tao Lin, Xiaojun Wang, Xin Chen, Xiaobing Liu, Xua

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