Concepedia

Promoting the conversion of Li2S by functional additives phenyl diselenide in Lithium–Sulfur batteries

Xueya Zhang, Jie Li, Chunhui Gao, Chenyang Shi, Liang He, Qian Xiang, Bo Hong, Yanqing Lai, Zhian Zhang, Kai Zhang

Journal of Power Sources · 2020 · 31 citations · 32 references

DOI

Concepts

References

32

A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics · 2010 · 56.9K citations

, , +14

The ORCA program system

Frank Neese · Wiley Interdisciplinary Reviews Computational Molecular Science · 2011 · 13.1K citations

, , +17

Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules

R. Ditchfield, Warren J. Hehre, John A. Pople · The Journal of Chemical Physics · 1971 · 10.5K citations

, , +15

Accuracy of AH<sub><i>n</i></sub>equilibrium geometries by single determinant molecular orbital theory

P. C. Hariharan, John A. Pople · Molecular Physics · 1974 · 2.3K citations

, , +15

A highly efficient polysulfide mediator for lithium–sulfur batteries

Xiao Liang, Connor J. Hart, Arnd Garsuch et al. · Nature Communications · 2015 · 2K citations · Full text

, , +17