Rational design of Two-Dimensional Buckled-Hexagonal Nb2S2 monolayer as an efficient anode material for Ca-ion Batteries: A First-Principles study

Far-field super-resolution ghost imaging with a deep neural network constraint

(2022) Fei Wang et al.   Light-Science & Applications

1T-MoS2 monolayer as a promising anode material for (Li/Na/Mg)-ion batteries

(2022) Xiaojie He et al.   APPLIED SURFACE SCIENCE

Rational Design of Two-Dimensional Porous Boron Phosphide as Efficient Cathode Material for Li and Na Ion Batteries: A First-Principles Study

(2022) Atish Ghosh et al.   Journal of Physical Chemistry C

Revealing the superlative electrochemical properties of o-B2N2 monolayer in Lithium/Sodium-ion batteries

(2022) Nabil Khossossi et al.   Nano Energy

Enabling the fast sodium ions diffusion by constructing reduced graphene oxide/TiO2/MXenes tandem architecture for durable sodium ions battery

(2022) Yaxuan He et al.   JOURNAL OF ELECTROANALYTICAL CHEMISTRY

Ultrafast Charge Transfer and Delayed Recombination in Graphitic-CN/WTe2 van der Waals Heterostructure: A Time Domain Ab Initio Study

(2022) Atish Ghosh et al.   Journal of Physical Chemistry Letters

Boron-doped g-CN monolayer as a promising anode for Na/K-ion batteries

(2022) Xiaoying Xia et al.   Surfaces and Interfaces

High storage capacity and small volume change of Potassium-intercalation into novel vanadium oxychalcogenide monolayers V2S2O, V2Se2O and V2Te2O: An ab initio DFT investigation

(2021) Yang-Xin Yu   APPLIED SURFACE SCIENCE

Toward Large-Capacity and High-Stability Lithium Storages via Constructing Quinone–2D-MnO2-Pillared Structures

(2021) Jia-Hui Li et al.   Journal of Physical Chemistry C

A DFT study of bismuthene as anode material for alkali-metal (Li/Na/K)-ion batteries

(2021) Muhammad Isa Khan et al.   Materials Science and Engineering B-Advanced Functional Solid-State Materials

Metal–Organic Frameworks and Their Derivatives: Designing Principles and Advances toward Advanced Cathode Materials for Alkali Metal Ion Batteries

(2021) Wei Zhu et al.   Small

Metal/Covalent‐Organic Framework Based Cathodes for Metal‐Ion Batteries

(2021) Lingjun Kong et al.   Advanced Energy Materials

Ternary transition metal chalcogenides Ti2PX2 (X = S, Se, Te) anodes for high performance metal-ion batteries: A DFT study

(2021) Baoxin Ge et al.   APPLIED SURFACE SCIENCE

Theoretical studies of SiC van der Waals heterostructures as anodes of Li-ion batteries

(2021) Xiaojie He et al.   APPLIED SURFACE SCIENCE

VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code

(2021) Vei Wang et al.   COMPUTER PHYSICS COMMUNICATIONS

First-principles calculations to investigate electronic structure and transport properties of CrC monolayers: A new horizon for spintronic application

(2021) Atish Ghosh et al.   Materials Science and Engineering B-Advanced Functional Solid-State Materials

Adsorption mechanisms of Mo2CrC2 MXenes as potential anode materials for metal-ion batteries: A first-principles investigation

(2020) Yi Xiao et al.   APPLIED SURFACE SCIENCE

Alloy Anode Materials for Rechargeable Mg Ion Batteries

(2020) Jiazheng Niu et al.   Advanced Energy Materials

A MoS2/Carbon hybrid anode for high-performance Li-ion batteries at low temperature

(2020) Xizheng Liu et al.   Nano Energy

Triazine- and Keto-Functionalized Porous Covalent Organic Framework as a Promising Anode Material for Na-Ion Batteries: A First-Principles Study

(2020) Biswajit Ball et al.   Journal of Physical Chemistry C

Two-dimensional B3P monolayer as a superior anode material for Li and Na ion batteries: a first-principles study

(2020) G. Abbas et al.   Materials Today Energy

Application of two-dimensional materials as anodes for rechargeable metal-ion batteries: A comprehensive perspective from density functional theory simulations

(2020) Yaser Bahari et al.   Energy Storage Materials

The potential application of VS2 as an electrode material for Mg ion battery: A DFT study

(2020) Jingdong Yang et al.   APPLIED SURFACE SCIENCE

Performance of WS2 monolayers as a new family of anode materials for metal-ion (mg, Al and ca) batteries

(2019) G. Reza Vakili-Nezhaad et al.   MATERIALS CHEMISTRY AND PHYSICS

Theoretical Investigation of V3C2 MXene as Prospective High-Capacity Anode Material for Metal-Ion (Li, Na, K, and Ca) Batteries

(2019) Ke Fan et al.   Journal of Physical Chemistry C

Metallic Nb2S2C Monolayer: A Promising Two-Dimensional Anode Material for Metal-Ion Batteries

(2019) Yu Jing et al.   Journal of Physical Chemistry C

Two-Dimensional Covalent Triazine Framework as a Promising Anode Material for Li-Ion Batteries

(2019) Biswajit Ball et al.   Journal of Physical Chemistry C

Engineering Magnetic Phases in Two-Dimensional Non-van der Waals Transition-Metal Oxides

(2019) Arkamita Bandyopadhyay et al.   NANO LETTERS

Hydrogenated defective graphene as an anode material for sodium and calcium ion batteries: A density functional theory study

(2018) Amir H. Farokh Niaei et al.   CARBON

MnSb2S4 Monolayer as an Anode Material for Metal-Ion Batteries

(2018) Zizhong Zhang et al.   CHEMISTRY OF MATERIALS

A Rigorous Method of Calculating Exfoliation Energies from First Principles

(2018) Jong Hyun Jung et al.   NANO LETTERS

2D Phosphorene: Epitaxial Growth and Interface Engineering for Electronic Devices

(2018) Jia Lin Zhang et al.   ADVANCED MATERIALS

2D Material-Based Vertical Double Heterojunction Bipolar Transistors with High Current Amplification

(2018) Geonyeop Lee et al.   Advanced Electronic Materials

Boron phosphide monolayer as a potential anode material for alkali metal-based batteries

(2017) H. R. Jiang et al.   Journal of Materials Chemistry A

Tetragonal-structured anisotropic 2D metal nitride monolayers and their halides with versatile promises in energy storage and conversion

(2017) Xu Zhang et al.   Journal of Materials Chemistry A

Graphene: a promising 2D material for electrochemical energy storage

(2017) Yanfeng Dong et al.   Science Bulletin

Prediction of Mobility, Enhanced Storage Capacity, and Volume Change during Sodiation on Interlayer-Expanded Functionalized Ti3C2 MXene Anode Materials for Sodium-Ion Batteries

(2016) Yang-Xin Yu   Journal of Physical Chemistry C

Ab Initio Prediction and Characterization of Mo2C Monolayer as Anodes for Lithium-Ion and Sodium-Ion Batteries

(2016) Qilong Sun et al.   Journal of Physical Chemistry Letters

Borophene as an anode material for Ca, Mg, Na or Li ion storage: A first-principle study

(2016) Bohayra Mortazavi et al.   JOURNAL OF POWER SOURCES

Two-dimensional transition-metal oxide monolayers as cathode materials for Li and Na ion batteries

(2016) Chon Chio Leong et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Theoretical prediction of MoN2 monolayer as a high capacity electrode material for metal ion batteries

(2016) Xiaoming Zhang et al.   Journal of Materials Chemistry A

Borophene: A promising anode material offering high specific capacity and high rate capability for lithium-ion batteries

(2016) H.R. Jiang et al.   Nano Energy

Two-Dimensional MnO2 as a Better Cathode Material for Lithium Ion Batteries

(2015) Shuo Deng et al.   Journal of Physical Chemistry C

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

Ti3C2 MXene as a High Capacity Electrode Material for Metal (Li, Na, K, Ca) Ion Batteries

(2014) Dequan Er et al.   ACS Applied Materials & Interfaces

Electron-phonon coupling enhanced by the FeSe/SrTiO3 interface

(2014) B. Li et al.   JOURNAL OF APPLIED PHYSICS

DFT-D3 Study of Some Molecular Crystals

(2014) Jonas Moellmann et al.   Journal of Physical Chemistry C

The potential application of phosphorene as an anode material in Li-ion batteries

(2014) Shijun Zhao et al.   Journal of Materials Chemistry A

Metallic VS2 Monolayer: A Promising 2D Anode Material for Lithium Ion Batteries

(2013) Yu Jing et al.   Journal of Physical Chemistry C

Can all nitrogen-doped defects improve the performance of graphene anode materials for lithium-ion batteries?

(2013) Yang-Xin Yu   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Graphenylene: a promising anode material for lithium-ion batteries with high mobility and storage

(2013) Yang-Xin Yu   Journal of Materials Chemistry A