Engineering d‐p Orbital Hybridization in Single‐Atom Metal‐Embedded Three‐Dimensional Electrodes for Li–S Batteries

Efficient Reversible Conversion between MoS 2 and Mo/Na 2 S Enabled by Graphene‐Supported Single Atom Catalysts

(2021) Biao Chen et al.   ADVANCED MATERIALS

Single-atom Catalytic Materials for Lean-electrolyte Ultrastable Lithium–Sulfur Batteries

(2020) Chao Lu et al.   NANO LETTERS

Clean utilization of palm kernel shell: sustainable and naturally heteroatom-doped porous activated carbon for lithium–sulfur batteries

(2020) Xu-Ran Han et al.   RARE METALS

A high-volumetric-capacity bismuth nanosheet/graphene electrode for potassium ion batteries

(2020) Linchao Zeng et al.   Science China-Materials

Fast conversion and controlled deposition of lithium (poly)sulfides in lithium-sulfur batteries using high-loading cobalt single atoms

(2020) Yuanjian Li et al.   Energy Storage Materials

A high-energy and long-cycling lithium–sulfur pouch cell via a macroporous catalytic cathode with double-end binding sites

(2020) Chen Zhao et al.   Nature Nanotechnology

Rational design of functional binder systems for high-energy lithium-based rechargeable batteries

(2020) Yun Zhao et al.   Energy Storage Materials

Cobalt in Nitrogen-Doped Graphene as Single-Atom Catalyst for High-Sulfur Content Lithium–Sulfur Batteries

(2019) Zhenzhen Du et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Promoting the Transformation of Li 2 S 2 to Li 2 S: Significantly Increasing Utilization of Active Materials for High‐Sulfur‐Loading Li–S Batteries

(2019) Xiaofei Yang et al.   ADVANCED MATERIALS

Enhancing Catalytic Activity of Titanium Oxide in Lithium–Sulfur Batteries by Band Engineering

(2019) Yuankun Wang et al.   Advanced Energy Materials

Implanting Atomic Cobalt within Mesoporous Carbon toward Highly Stable Lithium–Sulfur Batteries

(2019) Jin Xie et al.   ADVANCED MATERIALS

Single Nickel Atoms on Nitrogen‐Doped Graphene Enabling Enhanced Kinetics of Lithium–Sulfur Batteries

(2019) Linlin Zhang et al.   ADVANCED MATERIALS

Elaboration of Aggregated Polysulfide Phases: From Molecules to Large Clusters and Solid Phases

(2019) Jiewen Xiao et al.   NANO LETTERS

Theoretical Calculation Guided Design of Single-Atom Catalysts toward Fast Kinetic and Long-Life Li–S Batteries

(2019) Guangmin Zhou et al.   NANO LETTERS

Solvent-Mediated Li2 S Electrodeposition: A Critical Manipulator in Lithium-Sulfur Batteries

(2018) Zhejun Li et al.   Advanced Energy Materials

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

Propelling polysulfides transformation for high-rate and long-life lithium–sulfur batteries

(2017) Cheng Zheng et al.   Nano Energy

3D Interconnected Electrode Materials with Ultrahigh Areal Sulfur Loading for Li-S Batteries

(2016) Ruopian Fang et al.   ADVANCED MATERIALS

Designing high-energy lithium–sulfur batteries

(2016) Zhi Wei Seh et al.   CHEMICAL SOCIETY REVIEWS

LOBSTER: A tool to extract chemical bonding from plane-wave based DFT

(2016) Stefan Maintz et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Engineering the electronic structure of two-dimensional subnanopore nanosheets using molecular titanium-oxide incorporation for enhanced photocatalytic activity

(2016) Xiuli Lu et al.   Chemical Science

Balancing surface adsorption and diffusion of lithium-polysulfides on nonconductive oxides for lithium–sulfur battery design

(2016) Xinyong Tao et al.   Nature Communications

Catalysis by Supported Single Metal Atoms

(2016) Jingyue Liu   ACS Catalysis

Advances in lithium–sulfur batteries based on multifunctional cathodes and electrolytes

(2016) Quan Pang et al.   Nature Energy

Computational understanding of Li-ion batteries

(2016) Alexander Urban et al.   npj Computational Materials

Lithium-Sulfur Batteries: Progress and Prospects

(2015) Arumugam Manthiram et al.   ADVANCED MATERIALS

A highly efficient polysulfide mediator for lithium–sulfur batteries

(2015) Xiao Liang et al.   Nature Communications

Single-Atom Catalysts: A New Frontier in Heterogeneous Catalysis

(2013) Xiao-Feng Yang et al.   ACCOUNTS OF CHEMICAL RESEARCH

Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids

(2013) Stefan Maintz et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

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

(2012) Céline Barchasz et al.   ANALYTICAL CHEMISTRY

Isolated Metal Atom Geometries as a Strategy for Selective Heterogeneous Hydrogenations

(2012) Georgios Kyriakou et al.   SCIENCE

Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets

(2011) Volker L. Deringer et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

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

Van der Waals density functionals applied to solids

(2011) Jiří Klimeš et al.   PHYSICAL REVIEW B

Higher-accuracy van der Waals density functional

(2010) Kyuho Lee et al.   PHYSICAL REVIEW B

Chemical Shift of Electron Energy-Loss Near-Edge Structure on the Nitrogen K-Edge and Titanium L3-Edge at TiN/Ti Interface

(2009) Shohei Terada et al.   MICROSCOPY AND MICROANALYSIS