Concepedia

Dissociation mechanism of lithium salt by BaTiO<sub>3</sub> with spontaneous polarization

Shaoke Guo, Shendong Tan, Jiabin Ma, Likun Chen, Ke Yang, Qiannan Zhu, Yuetao Ma, Peiran Shi, Yinping Wei, Xufei An,

Energy & Environmental Science · 2024 · 90 citations · 40 references

DOI

Concepts

Abstract

We elucidate the dissociation mechanism of LiFSI induced by the ferroelectric fillers of BaTiO 3 and enhanced spontaneous polarization by oxygen vacancy defects.

References

40

Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations

, , +17

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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<i>Ab‐initio</i>simulations of materials using VASP: Density‐functional theory and beyond

Jürgen Häfner · Journal of Computational Chemistry · 2008 · 4.9K citations

, , +17

Supramolecular Binding Thermodynamics by Dispersion‐Corrected Density Functional Theory

Stefan Grimme · Chemistry - A European Journal · 2012 · 2K citations

, , +17

Controlling the dynamics of spontaneous emission from quantum dots by photonic crystals

Peter Lodahl, A. Floris van Driel, Ivan S. Nikolaev et al. · Nature · 2004 · 1.3K citations · Full text

, , +16