Theoretical Investigation of 2D Conductive Microporous Coordination Polymers as Li-S Battery Cathode with Ultrahigh Energy Density

Three dimensional porous SiC for lithium polysulfide trapping

(2018) Fen Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

2D framework C2N as a potential cathode for lithium–sulfur batteries: an ab initio density functional study

(2018) Jianbao Wu et al.   Journal of Materials Chemistry A

Robust and conductive two-dimensional metal−organic frameworks with exceptionally high volumetric and areal capacitance

(2018) Dawei Feng et al.   Nature Energy

Computational screening of two-dimensional coordination polymers as efficient catalysts for oxygen evolution and reduction reaction

(2017) Guoping Gao et al.   JOURNAL OF CATALYSIS

Revealing the Electrochemical Charging Mechanism of Nanosized Li2S by in Situ and Operando X-ray Absorption Spectroscopy

(2017) Liang Zhang et al.   NANO LETTERS

Catalytic oxidation of Li2S on the surface of metal sulfides for Li−S batteries

(2017) Guangmin Zhou et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Conductive porous vanadium nitride/graphene composite as chemical anchor of polysulfides for lithium-sulfur batteries

(2017) Zhenhua Sun et al.   Nature Communications

An Analogous Periodic Law for Strong Anchoring of Polysulfides on Polar Hosts in Lithium Sulfur Batteries: S- or Li-Binding on First-Row Transition-Metal Sulfides?

(2017) Xiang Chen et al.   ACS Energy Letters

Ultrathin Cobaltosic Oxide Nanosheets as an Effective Sulfur Encapsulation Matrix with Strong Affinity Toward Polysulfides

(2016) Hongqiang Wang et al.   ACS Applied Materials & Interfaces

Metal–organic frameworks for energy storage: Batteries and supercapacitors

(2016) Lu Wang et al.   COORDINATION CHEMISTRY REVIEWS

Hexaaminobenzene as a building block for a Family of 2D Coordination Polymers

(2016) Nabajit Lahiri et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Powering Lithium–Sulfur Battery Performance by Propelling Polysulfide Redox at Sulfiphilic Hosts

(2016) Zhe Yuan et al.   NANO LETTERS

Design Principles for Heteroatom-Doped Nanocarbon to Achieve Strong Anchoring of Polysulfides for Lithium-Sulfur Batteries

(2016) Ting-Zheng Hou et al.   Small

Understanding the interactions between lithium polysulfides and N-doped graphene using density functional theory calculations

(2016) Li-Chang Yin et al.   Nano Energy

A graphene-like metallic cathode host for long-life and high-loading lithium–sulfur batteries

(2016) Quan Pang et al.   Materials Horizons

Growth of conformal graphene cages on micrometre-sized silicon particles as stable battery anodes

(2016) Yuzhang Li et al.   Nature Energy

A review of methods for the calculation of solution free energies and the modelling of systems in solution

(2015) R. E. Skyner et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Progress in Mechanistic Understanding and Characterization Techniques of Li-S Batteries

(2015) Rui Xu et al.   Advanced Energy Materials

Insight into the role of Li2S2 in Li–S batteries: a first-principles study

(2015) Guochun Yang et al.   Journal of Materials Chemistry A

Rechargeable Lithium–Sulfur Batteries

(2014) Arumugam Manthiram et al.   CHEMICAL REVIEWS

Toward a Molecular Understanding of Energetics in Li–S Batteries Using Nonaqueous Electrolytes: A High-Level Quantum Chemical Study

(2014) Rajeev S. Assary et al.   Journal of Physical Chemistry C

Rechargeable lithium–air batteries: characteristics and prospects

(2014) Nobuyuki Imanishi et al.   Materials Today

Two-dimensional layered transition metal disulphides for effective encapsulation of high-capacity lithium sulphide cathodes

(2014) Zhi Wei Seh et al.   Nature Communications

In Situ Sulfur Reduction and Intercalation of Graphite Oxides for Li-S Battery Cathodes

(2014) Shiyou Zheng et al.   Advanced Energy Materials

Formation of Large Polysulfide Complexes during the Lithium-Sulfur Battery Discharge

(2014) Bin Wang et al.   Physical Review Applied

Self-consistent continuum solvation (SCCS): The case of charged systems

(2013) C. Dupont et al.   JOURNAL OF CHEMICAL PHYSICS

Fast plane wave density functional theory molecular dynamics calculations on multi-GPU machines

(2013) Weile Jia et al.   JOURNAL OF COMPUTATIONAL PHYSICS

The Li-Ion Rechargeable Battery: A Perspective

(2013) John B. Goodenough et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Challenges and Prospects of Lithium–Sulfur Batteries

(2012) Arumugam Manthiram et al.   ACCOUNTS OF CHEMICAL RESEARCH

Lithium/Sulfur Cell Discharge Mechanism: An Original Approach for Intermediate Species Identification

(2012) Céline Barchasz et al.   ANALYTICAL CHEMISTRY

The analysis of a plane wave pseudopotential density functional theory code on a GPU machine

(2012) Weile Jia et al.   COMPUTER PHYSICS COMMUNICATIONS

First-Principle Protocol for Calculating Ionization Energies and Redox Potentials of Solvated Molecules and Ions: Theory and Application to Aqueous Phenol and Phenolate

(2012) Debashree Ghosh et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Cathode Composites for Li–S Batteries via the Use of Oxygenated Porous Architectures

(2011) Rezan Demir-Cakan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

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

New Nanostructured Li2S/Silicon Rechargeable Battery with High Specific Energy

(2010) Yuan Yang et al.   NANO LETTERS

A highly ordered nanostructured carbon–sulphur cathode for lithium–sulphur batteries

(2009) Xiulei Ji et al.   NATURE MATERIALS