On the Structure of Sulfur/1,3‐Diisopropenylbenzene Co‐Polymer Cathodes for Li‐S Batteries: Insights from Density‐Functional Theory Calculations

Origin of shuttle-free sulfurized polyacrylonitrile in lithium-sulfur batteries

(2021) Chen-Jui Huang et al.   JOURNAL OF POWER SOURCES

CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations

(2020) Thomas D. Kühne et al.   JOURNAL OF CHEMICAL PHYSICS

Mechanism for the Stable Performance of Sulfur-Copolymer Cathode in Lithium–Sulfur Battery Studied by Solid-State NMR Spectroscopy

(2018) Alexander Hoefling et al.   CHEMISTRY OF MATERIALS

Electronic, Magnetic, and Transport Properties of Polyacrylonitrile-Based Carbon Nanofibers of Various Widths: Density-Functional Theory Calculations

(2018) P. Partovi-Azar et al.   Physical Review Applied

A Polysulfide-Immobilizing Polymer Retards the Shuttling of Polysulfide Intermediates in Lithium-Sulfur Batteries

(2018) Shuibin Tu et al.   ADVANCED MATERIALS

Recent progress in polymer materials for advanced lithium-sulfur batteries

(2018) Jiadeng Zhu et al.   PROGRESS IN POLYMER SCIENCE

A multi functional binder with lithium ion conductive polymer and polysulfide absorbents to improve cycleability of lithium–sulfur batteries

(2015) Gaoran Li et al.   JOURNAL OF POWER SOURCES

Wetting of water on hexagonal boron nitride@Rh(111): a QM/MM model based on atomic charges derived for nano-structured substrates

(2015) Dorothea Golze et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Direct Measurement of Polysulfide Shuttle Current: A Window into Understanding the Performance of Lithium-Sulfur Cells

(2014) Derek Moy et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Inverse Vulcanization of Elemental Sulfur to Prepare Polymeric Electrode Materials for Li–S Batteries

(2014) Adam G. Simmonds et al.   ACS Macro Letters

Nanostructured sulfur cathodes

(2013) Yuan Yang et al.   CHEMICAL SOCIETY REVIEWS

Structural changes of a Li/S rechargeable cell in Lithium Metal Polymer technology

(2013) Margaud Lécuyer et al.   JOURNAL OF POWER SOURCES

The use of elemental sulfur as an alternative feedstock for polymeric materials

(2013) Woo Jin Chung et al.   Nature Chemistry

A novel polymer electrolyte to improve the cycle life of high performance lithium–sulfur batteries

(2013) Kazem Jeddi et al.   Journal of Materials Chemistry A

Improving the Performance of Lithium–Sulfur Batteries by Conductive Polymer Coating

(2011) Yuan Yang et al.   ACS Nano

Li–O2 and Li–S batteries with high energy storage

(2011) Peter G. Bruce et al.   NATURE MATERIALS

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

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Advances in Li–S batteries

(2010) Xiulei Ji et al.   JOURNAL OF MATERIALS CHEMISTRY

Electrostatic Potential Derived Atomic Charges for Periodic Systems Using a Modified Error Functional

(2009) Carlos Campañá et al.   Journal of Chemical Theory and Computation

Optimized Gaussian basis sets for Goedecker–Teter–Hutter pseudopotentials

(2008) Eeuwe S Zijlstra et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING