Combining theory and experiment in lithium–sulfur batteries: Current progress and future perspectives

By Xiang Chen, Tingzheng Hou, Kristin A. Persson, Qiang Zhang. Materials Today, 2019

309 citations recorded by the source corpus.

Abstract Lithium–sulfur (Li–S) batteries are considered as promising candidates for next-generation energy storage devices due to their ultrahigh theoretical gravimetric energy density, cost-effectiveness, and environmental friendliness. However, the application of Li–S batteries remains challenging, mainly due to a lack of understanding of the complex chemical reactions and associated equilibria occurring in a working Li–S system. In this review, the typical applications of computational chemistry in Li–S battery studies, correlating to characterization techniques, such as X-ray diffraction, infra-red & Raman spectra, X-ray absorption spectroscopy, binding energy, and nuclear magnetic resonance, are reviewed. In particular, high-accuracy calculations and large-scale models, materials genome, and machine-learning approaches are expected to further advance computational design for the development of Li–S batteries and related fields.

Subfields: Electrical and Electronic Engineering, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/0f4630890afa6bd31bdca77d94a5437a9096283b

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Electrical and Electronic Engineering

  1. Tingzheng Hou
  2. Guang Yang
  3. Sang-Won Park
  4. Nav Nidhi Rajput
  5. Julian Self
  6. J. Nanda
  7. Kristin A. Persson

In Materials Chemistry

  1. J. Nanda
  2. Kristin A. Persson

Citations in the corpus