NiX2 (X = S, Se, and Te) Monolayers: Promising Anodes in Li/Na-Ion Batteries and Superconductors

Strain-stabilized superconductivity

(2021) J. P. Ruf et al.   Nature Communications

Plasmonic Modulation of Valleytronic Emission in Two‐Dimensional Transition Metal Dichalcogenides

(2021) Miaoyi Deng et al.   ADVANCED FUNCTIONAL MATERIALS

Theory of BCS-like bogolon-mediated superconductivity in transition metal dichalcogenides

(2021) Meng Sun et al.   NEW JOURNAL OF PHYSICS

Band structure engineering of NiS2 monolayer by transition metal doping

(2021) H. Khalatbari et al.   Scientific Reports

Comprehensive Study of Lithium Adsorption and Diffusion on Janus Mo/WXY (X, Y = S, Se, Te) Using First-Principles and Machine Learning Approaches

(2021) Gracie Chaney et al.   ACS Applied Materials & Interfaces

Electrode‐Induced Self‐Healed Monolayer MoS 2 for High Performance Transistors and Phototransistors

(2021) Sangyeon Pak et al.   ADVANCED MATERIALS

High‐Performance Electrochemical NO Reduction into NH3 by MoS2 Nanosheet

(2021) Xuping Sun   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Theoretical Screening of Metal Borocarbide Sheets for High-Capacity and High-Rate Li - and Na -Ion Batteries

(2021) Yusuf Zuntu Abdullahi et al.   Physical Review Applied

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

(2021) Vei Wang et al.   COMPUTER PHYSICS COMMUNICATIONS

Fabrication of defect-rich bifunctional hollow NiTe2 nanotubes for high performance hydrogen evolution electrocatalysts and supercapacitors

(2021) Fangfang Zhang et al.   Journal of Energy Storage

The superconductivity and topological surface state of type-II Dirac semimetal NiTe2

(2020) Jie Zhang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Optoelectronics of Multijunction Heterostructures of Transition Metal Dichalcogenides

(2020) Woosuk Choi et al.   NANO LETTERS

Transition‐Metal Dichalcogenide NiTe 2 : An Ambient‐Stable Material for Catalysis and Nanoelectronics

(2020) Silvia Nappini et al.   ADVANCED FUNCTIONAL MATERIALS

Two-Dimensional Metallic NiTe2 with Ultrahigh Environmental Stability, Conductivity, and Electrocatalytic Activity

(2020) Jianping Shi et al.   ACS Nano

2D Transition Metal Dichalcogenides: Design, Modulation, and Challenges in Electrocatalysis

(2020) Qiang Fu et al.   ADVANCED MATERIALS

Theoretical dissection of superconductivity in two-dimensional honeycomb borophene oxide B2O crystal with a high stability

(2020) Luo Yan et al.   npj Computational Materials

Chemical vapor deposition of layered two-dimensional MoSi2N4 materials

(2020) Yi-Lun Hong et al.   SCIENCE

Single-Layer Dititanium Oxide Ti2O MOene: Multifunctional Promises for Electride, Anode Materials, and Superconductor

(2020) Luo Yan et al.   Journal of Physical Chemistry Letters

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

Investigation of two‐dimensional hf‐based MXenes as the anode materials for li/na‐ion batteries: A DFT study

(2019) Zhifang Yang et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Application of highly stretchable and conductive two-dimensional 1T VS2 and VSe2 as anode materials for Li-, Na- and Ca-ion storage

(2019) Mohammad Salavati et al.   COMPUTATIONAL MATERIALS SCIENCE

Exploring the effect of phosphorus doping on the utility of g-C3N4 as an electrode material in Na-ion batteries using DFT method

(2019) Masoumeh Molaei et al.   JOURNAL OF MOLECULAR MODELING

Ultrahigh Storage and Fast Diffusion of Na and K in Blue Phosphorene Anodes

(2018) Sankha Mukherjee et al.   ACS Applied Materials & Interfaces

Adsorption and Diffusion of Lithium and Sodium on Defective Rhenium Disulfide: A First Principles Study

(2018) Sankha Mukherjee et al.   ACS Applied Materials & Interfaces

van der Waals Metallic Transition Metal Dichalcogenides

(2018) Gang Hee Han et al.   CHEMICAL REVIEWS

Topological Type-II Dirac Fermions Approaching the Fermi Level in a Transition Metal Dichalcogenide NiTe2

(2018) Chunqiang Xu et al.   CHEMISTRY OF MATERIALS

TiC3 Monolayer with High Specific Capacity for Sodium-Ion Batteries

(2018) Tong Yu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The S-functionalized Ti3C2 Mxene as a high capacity electrode material for Na-ion batteries: a DFT study

(2018) Qiangqiang Meng et al.   Nanoscale

Tuning the catalytic activity of heterogeneous two-dimensional transition metal dichalcogenides for hydrogen evolution

(2018) Seung Hyo Noh et al.   Journal of Materials Chemistry A

A DFT Study on the Adsorption of H2S and SO2 on Ni Doped MoS2 Monolayer

(2018) Huangli Wei et al.   Nanomaterials

Synthetic Control of Two-Dimensional NiTe2 Single Crystals with Highly Uniform Thickness Distributions

(2018) Bei Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A DFT study on graphene, SiC, BN, and AlN nanosheets as anodes in Na-ion batteries

(2017) A. Hosseinian et al.   JOURNAL OF MOLECULAR MODELING

Chemical Vapor Deposition of Large-Size Monolayer MoSe2 Crystals on Molten Glass

(2017) Jianyi Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

MoO2@MoS2Nanoarchitectures for High-Loading Advanced Lithium-Ion Battery Anodes

(2017) Zhanwei Xu et al.   PARTICLE & PARTICLE SYSTEMS CHARACTERIZATION

Theoretical prediction of MXene-like structured Ti3C4 as a high capacity electrode material for Na ion batteries

(2017) Qiangqiang Meng et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Topological superconductivity in monolayer transition metal dichalcogenides

(2017) Yi-Ting Hsu et al.   Nature Communications

Electronic and Optoelectronic Applications Based on 2D Novel Anisotropic Transition Metal Dichalcogenides

(2017) Chuanhui Gong et al.   Advanced Science

Synthesis, Properties, and Applications of Transition Metal-Doped Layered Transition Metal Dichalcogenides

(2016) Aleksander A. Tedstone et al.   CHEMISTRY OF MATERIALS

The origin of the enhanced performance of nitrogen-doped MoS2in lithium ion batteries

(2016) Qiuhong Liu et al.   NANOTECHNOLOGY

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

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

Excitonic Resonant Emission–Absorption of Surface Plasmons in Transition Metal Dichalcogenides for Chip-Level Electronic–Photonic Integrated Circuits

(2016) Zhuan Zhu et al.   ACS Photonics

Adsorption and Diffusion of Lithium on Monolayer Transition Metal Dichalcogenides (MoS2(1–x)Se2x) Alloys

(2015) Fatih Ersan et al.   Journal of Physical Chemistry C

Two-Dimensional Transition Metal Dichalcogenide Monolayers as Promising Sodium Ion Battery Anodes

(2015) Eunjeong Yang et al.   Journal of Physical Chemistry C

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

Two Dimensional Materials Beyond MoS2: Noble-Transition-Metal Dichalcogenides

(2014) Pere Miró et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

MoS2Nanoflowers with Expanded Interlayers as High-Performance Anodes for Sodium-Ion Batteries

(2014) Zhe Hu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Adsorption and diffusion of lithium on 1T-MoS 2 monolayer

(2014) B. Xu et al.   COMPUTATIONAL MATERIALS SCIENCE

Ab initio characterization of layered MoS2 as anode for sodium-ion batteries

(2014) Majid Mortazavi et al.   JOURNAL OF POWER SOURCES

Necessary and sufficient elastic stability conditions in various crystal systems

(2014) Félix Mouhat et al.   PHYSICAL REVIEW B

Interfacial Sliding and Buckling of Monolayer Graphene on a Stretchable Substrate

(2013) Tao Jiang et al.   ADVANCED FUNCTIONAL MATERIALS

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

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

Enhanced Hydrogen Evolution Catalysis from Chemically Exfoliated Metallic MoS2 Nanosheets

(2013) Mark A. Lukowski et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Synthesis and Optical Properties of Large-Area Single-Crystalline 2D Semiconductor WS2Monolayer from Chemical Vapor Deposition

(2013) Chunxiao Cong et al.   Advanced Optical Materials

Mechanical and electronic properties of monolayer MoS2 under elastic strain

(2012) Qu Yue et al.   PHYSICS LETTERS A

Single-Layer MoS2 Phototransistors

(2011) Zongyou Yin et al.   ACS Nano

MoS2Nanoparticles Grown on Graphene: An Advanced Catalyst for the Hydrogen Evolution Reaction

(2011) Yanguang Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Van der Waals density functionals applied to solids

(2011) Jiří Klimeš et al.   PHYSICAL REVIEW B

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

The bulk modulus and Poisson's ratio of “incompressible” materials

(2008) P.H. Mott et al.   JOURNAL OF SOUND AND VIBRATION

First-principles approach to chemical diffusion of lithium atoms in a graphite intercalation compound

(2008) Kazuaki Toyoura et al.   PHYSICAL REVIEW B