Monolayer MSi2P4 (M = V, Nb, and Ta) as Highly Efficient Sulfur Host Materials for Lithium–Sulfur Batteries

Emerging Catalysts to Promote Kinetics of Lithium–Sulfur Batteries

(2021) Peng Wang et al.   Advanced Energy Materials

Monolayer Fe3GeX2 (X = S, Se, and Te) as Highly Efficient Electrocatalysts for Lithium–Sulfur Batteries

(2021) Xiaohan Song et al.   ACS Applied Materials & Interfaces

Recent Advances in Molybdenum-Based Materials for Lithium-Sulfur Batteries

(2021) Henghan Dai et al.   Research

Arsenene, antimonene and bismuthene as anchoring materials for lithium‐sulfur batteries: A computational study

(2021) Xiaotong Mao et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Intercalated architecture of MA2Z4 family layered van der Waals materials with emerging topological, magnetic and superconducting properties

(2021) Lei Wang et al.   Nature Communications

Realizing high-performance lithium-sulfur batteries via rational design and engineering strategies

(2021) Wenjing Deng et al.   Nano Energy

Mechanistic Insights into Interactions of Polysulfides at VS2 Interfaces in Na–S Batteries: A DFT Study

(2021) Rahul Jayan et al.   ACS Applied Materials & Interfaces

Magnetic properties of NbSi2N4, VSi2N4, and VSi2P4 monolayers

(2021) Md. Rakibul Karim Akanda et al.   APPLIED PHYSICS LETTERS

Single-Atom Catalysts as Promising Cathode Materials for Lithium–Sulfur Batteries

(2021) Eleftherios I. Andritsos et al.   Journal of Physical Chemistry C

Strained MoSi2N4 Monolayers with Excellent Solar Energy Absorption and Carrier Transport Properties

(2021) Chao-chao Jian et al.   Journal of Physical Chemistry C

Role of the solvent in the activation of Li2S as cathode material: a DFT study

(2021) Juan J Velasco et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Recent progress of separators in lithium-sulfur batteries

(2021) Chao Li et al.   Energy Storage Materials

Two-Dimensional Conductive Metal–Organic Frameworks as Highly Efficient Electrocatalysts for Lithium–Sulfur Batteries

(2021) Junru Wang et al.   ACS Applied Materials & Interfaces

Packing Sulfur Species by Phosphorene‐Derived Catalytic Interface for Electrolyte‐Lean Lithium–Sulfur Batteries

(2021) Jiangqi Zhou et al.   ADVANCED FUNCTIONAL MATERIALS

A potential anchoring material for lithium–sulfur batteries: Monolayer PtTe sheet

(2021) Jiguang Du et al.   APPLIED SURFACE SCIENCE

Virtual screening of two-dimensional selenides and transition metal doped SnSe for lithium-sulfur batteries: A first-principles study

(2021) Wenshan Xiao et al.   APPLIED SURFACE SCIENCE

Functionalized Mo2B2 MBenes: Promising anchoring and electrocatalysis materials for Lithium-Sulfur battery

(2021) Yupeng Xiao et al.   APPLIED SURFACE SCIENCE

Defective Phosphorene as a Promising Anchoring Material for Lithium–Sulfur Batteries

(2020) Hafiz Humza Haseeb et al.   Journal of Physical Chemistry C

Cobalt Phosphide Nanoflake-Induced Flower-like Sulfur for High Redox Kinetics and Fast Ion Transfer in Lithium-Sulfur Batteries

(2020) Congyu Qi et al.   ACS Applied Materials & Interfaces

Chemical vapor deposition of layered two-dimensional MoSi2N4 materials

(2020) Yi-Lun Hong et al.   SCIENCE

Exceptional piezoelectricity, high thermal conductivity and stiffness and promising photocatalysis in two-dimensional MoSi2N4 family confirmed by first-principles

(2020) Bohayra Mortazavi et al.   Nano Energy

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

A General Atomic Surface Modification Strategy for Improving Anchoring and Electrocatalysis Behavior of Ti3C2T2 MXene in Lithium–Sulfur Batteries

(2019) Dashuai Wang et al.   ACS Nano

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

(2019) Linlin Zhang et al.   ADVANCED MATERIALS

Simultaneous Cobalt and Phosphorous Doping of MoS 2 for Improved Catalytic Performance on Polysulfide Conversion in Lithium–Sulfur Batteries

(2019) Haibin Lin et al.   Advanced Energy Materials

Designing Effective Solvent–Catalyst Interface for Catalytic Sulfur Conversion in Lithium–Sulfur Batteries

(2019) Zhejun Li et al.   CHEMISTRY OF MATERIALS

Anchoring effects of S-terminated Ti 2 C MXene for lithium-sulfur batteries: A first-principles study

(2018) Xiaobiao Liu et al.   APPLIED SURFACE SCIENCE

Borophene and defective borophene as potential anchoring materials for lithium–sulfur batteries: a first-principles study

(2018) H. R. Jiang et al.   Journal of Materials Chemistry A

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

Combining theory and experiment in electrocatalysis: Insights into materials design

(2017) Zhi Wei Seh et al.   SCIENCE

A novel synergistic composite with multi-functional effects for high-performance Li–S batteries

(2016) Yi-Juan Li et al.   Energy & Environmental Science

Understanding the Anchoring Effect of Two-Dimensional Layered Materials for Lithium–Sulfur Batteries

(2015) Qianfan Zhang et al.   NANO LETTERS

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways

(2014) Kiran Mathew et al.   JOURNAL OF CHEMICAL PHYSICS

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

Formation of Stable Phosphorus–Carbon Bond for Enhanced Performance in Black Phosphorus Nanoparticle–Graphite Composite Battery Anodes

(2014) Jie Sun et al.   NANO LETTERS

Accuracy of exchange-correlation functionals and effect of solvation on the surface energy of copper

(2013) Matthew Fishman et al.   PHYSICAL REVIEW B

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY