Concepedia

A first-principles research of two-dimensional Sc2N monolayer as an anode material for Na, K, Mg, and Ca ion batteries

Chengwei Lü, Mingliang Qin, Yu-Pu He, Meng-Qian Wu, Qinsheng Zhu, Shao-Yi Wu

Solid State Ionics · 2025 · 19 citations · 46 references

DOI

Concepts

References

46

Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

Stefan Grimme · Journal of Computational Chemistry · 2006 · 30.8K citations

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Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points

Graeme Henkelman, Hannes Jónsson · The Journal of Chemical Physics · 2000 · 9.4K citations

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VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code

Vei Wang, Nan Xu, Jincheng Liu et al. · Computer Physics Communications · 2021 · 7.3K citations · Full text

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Necessary and sufficient elastic stability conditions in various crystal systems

Félix Mouhat, François‐Xavier Coudert · Physical Review B · 2014 · 4.8K citations · Full text

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Nist chemistry webbook, nist standard reference database number 69

P. Linstorm · Medical Entomology and Zoology · 1998 · 4.6K citations

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