MX Anti-MXenes from Non-van der Waals Bulks for Electrochemical Applications: The Merit of Metallicity and Active Basal Plane

Atom removal on the basal plane of layered MoS2 leading to extraordinarily enhanced electrocatalytic performance

(2020) Chao Wang et al.   ELECTROCHIMICA ACTA

Conversion of non-van der Waals solids to 2D transition-metal chalcogenides

(2020) Zhiguo Du et al.   NATURE

Insights into the elastic properties of RE- i -MAX phases and their potential exfoliation into two-dimensional RE- i -MXenes

(2020) A. Champagne et al.   Physical Review Materials

Novel 2D Transition‐Metal Carbides: Ultrahigh Performance Electrocatalysts for Overall Water Splitting and Oxygen Reduction

(2020) Yadong Yu et al.   ADVANCED FUNCTIONAL MATERIALS

Basal-Plane Catalytic Activity of Layered Metallic Transition Metal Ditellurides for the Hydrogen Evolution Reaction

(2020) Hagyeong Kwon et al.   Applied Sciences-Basel

Data-driven Discovery of 3D and 2D Thermoelectric Materials

(2020) Kamal Choudhary et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

2D transition metal dichalcogenides, carbides, nitrides, and their applications in supercapacitors and electrocatalytic hydrogen evolution reaction

(2020) Shuoguo Yuan et al.   Applied Physics Reviews

High-Throughput Identification of Exfoliable Two-Dimensional Materials with Active Basal Planes for Hydrogen Evolution

(2020) Tong Yang et al.   ACS Energy Letters

Activation of MoS2 Basal Planes for Hydrogen Evolution by Zinc

(2019) Wenzhuo Wu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Progress in Electrocatalytic Hydrogen Evolution Based on Monolayer Molybdenum Disulfide

(2019) Chuan Wang et al.   Frontiers in Chemistry

Earth abundant materials beyond transition metal dichalcogenides: A focus on electrocatalyzing hydrogen evolution reaction

(2019) Peng Yu et al.   Nano Energy

Structure prediction drives materials discovery

(2019) Artem R. Oganov et al.   Nature Reviews Materials

Semimetallic Si3C as a high capacity anode material for advanced lithium ion batteries

(2019) Yanru Dong et al.   APPLIED SURFACE SCIENCE

Coordination tailoring towards efficient single-atom catalysts for N2 fixation: A case study of iron-nitrogen-carbon (Fe@N-C) systems

(2019) Xiangyu Guo et al.   CATALYSIS TODAY

2DMatPedia, an open computational database of two-dimensional materials from top-down and bottom-up approaches

(2019) Jun Zhou et al.   Scientific Data

Monoatomic Platinum-Anchored Metallic MoS2: Correlation between Surface Dopant and Hydrogen Evolution

(2019) Chuanqiang Wu et al.   Journal of Physical Chemistry Letters

Hybrid energy management with respect to a hydrogen energy system and demand response

(2019) Mohammad Reza Maghami et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Transition Metal Selenides for Electrocatalytic Hydrogen Evolution Reaction

(2019) Wenshuai Feng et al.   ChemElectroChem

Universal Descriptor for Large-Scale Screening of High-Performance MXene-Based Materials for Energy Storage and Conversion

(2018) Wei Jiang et al.   CHEMISTRY OF MATERIALS

Ultrathin two-dimensional materials for photo- and electrocatalytic hydrogen evolution

(2018) Jun Di et al.   Materials Today

Exfoliation of a non-van der Waals material from iron ore hematite

(2018) Aravind Puthirath Balan et al.   Nature Nanotechnology

Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds

(2018) Nicolas Mounet et al.   Nature Nanotechnology

Insights into exfoliation possibility of MAX phases to MXenes

(2018) Mohammad Khazaei et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Antiferromagnetic Order in Epitaxial FeSe Films on SrTiO3

(2018) Y. Zhou et al.   PHYSICAL REVIEW LETTERS

The computational 2D materials database: High-throughput modeling and discovery of atomically thin crystals

(2018) Sten Haastrup et al.   2D Materials

A library of atomically thin metal chalcogenides

(2018) Jiadong Zhou et al.   NATURE

High-throughput computational screening of layered and two-dimensional materials

(2018) Xu Zhang et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Two-Dimensional, Ordered, Double Transition Metal Carbides (MXenes): A New Family of Promising Catalysts for the Hydrogen Evolution Reaction

(2018) Yu-Wen Cheng et al.   Journal of Physical Chemistry C

Ultrathin molybdenum phosphide films as high-efficiency electrocatalysts for hydrogen evolution reaction

(2018) Tingsong Hu et al.   Materials Research Express

Enhancing Catalytic Activity of MoS2 Basal Plane S-Vacancy by Co Cluster Addition

(2018) Sangwook Park et al.   ACS Energy Letters

Graphene-like WSe 2 nanosheets for efficient and stable hydrogen evolution

(2017) Xinqiang Wang et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Energy and fuels from electrochemical interfaces

(2017) Vojislav R. Stamenkovic et al.   NATURE MATERIALS

Topology-Scaling Identification of Layered Solids and Stable Exfoliated 2D Materials

(2017) Michael Ashton et al.   PHYSICAL REVIEW LETTERS

Density functional theory study on structural and mechanical properties of graphene, T-graphene, and R-graphyne

(2017) R. Majidi   THEORETICAL CHEMISTRY ACCOUNTS

Electrochemical generation of sulfur vacancies in the basal plane of MoS2 for hydrogen evolution

(2017) Charlie Tsai et al.   Nature Communications

Ultrathin molybdenum boride films for highly efficient catalysis of the hydrogen evolution reaction

(2017) Xufeng Wang et al.   Journal of Materials Chemistry A

2D WC single crystal embedded in graphene for enhancing hydrogen evolution reaction

(2017) Mengqi Zeng et al.   Nano Energy

Hydrogen evolution: Not living on the edge

(2017) Danielle N. Chirdon et al.   Nature Energy

High-throughput Identification and Characterization of Two-dimensional Materials using Density functional theory

(2017) Kamal Choudhary et al.   Scientific Reports

Recent Strategies for Improving the Catalytic Activity of 2D TMD Nanosheets Toward the Hydrogen Evolution Reaction

(2016) Damien Voiry et al.   ADVANCED MATERIALS

First-principles study of intercalation of alkali ions in FeSe for solid-state batteries

(2016) Zhiqiang Jiang et al.   CHEMICAL PHYSICS LETTERS

Activating Inert Basal Planes of MoS2 for Hydrogen Evolution Reaction through the Formation of Different Intrinsic Defects

(2016) Yixin Ouyang et al.   CHEMISTRY OF MATERIALS

Predicted Surface Composition and Thermodynamic Stability of MXenes in Solution

(2016) Michael Ashton et al.   Journal of Physical Chemistry C

All The Catalytic Active Sites of MoS2 for Hydrogen Evolution

(2016) Guoqing Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Semi-metallic Be5C2 monolayer global minimum with quasi-planar pentacoordinate carbons and negative Poisson’s ratio

(2016) Yu Wang et al.   Nature Communications

2D MXenes: A New Family of Promising Catalysts for the Hydrogen Evolution Reaction

(2016) Guoping Gao et al.   ACS Catalysis

Two-Dimensional Molybdenum Carbide (MXene) as an Efficient Electrocatalyst for Hydrogen Evolution

(2016) Zhi Wei Seh et al.   ACS Energy Letters

A Novel and Functional Single-Layer Sheet of ZnSe

(2015) Jia Zhou et al.   ACS Applied Materials & Interfaces

Anti-MoS2 Nanostructures: Tl2S and Its Electrochemical and Electronic Properties

(2015) Xinyi Chia et al.   ACS Nano

Ultrathin Two-Dimensional Nanomaterials

(2015) Hua Zhang   ACS Nano

Computational Screening of 2D Materials for Photocatalysis

(2015) Arunima K. Singh et al.   Journal of Physical Chemistry Letters

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

Band gap control and transformation of monolayer-MoS2-based hetero-bilayers

(2015) X. D. Li et al.   Journal of Materials Chemistry C

Simulation Evidence of Hexagonal-to-Tetragonal ZnSe Structure Transition: A Monolayer Material with a Wide-Range Tunable Direct Bandgap

(2015) Lei Li et al.   Advanced Science

Superconductivity above 100 K in single-layer FeSe films on doped SrTiO 3

(2014) Jian-Feng Ge et al.   NATURE MATERIALS

Active edge sites in MoSe2 and WSe2 catalysts for the hydrogen evolution reaction: a density functional study

(2014) Charlie Tsai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Hydrogen evolution by a metal-free electrocatalyst

(2014) Yao Zheng et al.   Nature Communications

New manifold two-dimensional single-layer structures of zinc-blende compounds

(2014) Chuan-Jia Tong et al.   Journal of Materials Chemistry A

25th Anniversary Article: MXenes: A New Family of Two-Dimensional Materials

(2013) Michael Naguib et al.   ADVANCED MATERIALS

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

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

Nonlinear elastic behavior of two-dimensional molybdenum disulfide

(2013) Ryan C. Cooper et al.   PHYSICAL REVIEW B

Stable three-dimensional metallic carbon with interlocking hexagons

(2013) S. Zhang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Two-Dimensional Materials from Data Filtering andAb InitioCalculations

(2013) S. Lebègue et al.   Physical Review X

Two-Dimensional Transition Metal Carbides

(2012) Michael Naguib et al.   ACS Nano

Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis

(2012) Shyue Ping Ong et al.   COMPUTATIONAL MATERIALS SCIENCE

Are MXenes Promising Anode Materials for Li Ion Batteries? Computational Studies on Electronic Properties and Li Storage Capability of Ti3C2 and Ti3C2X2 (X = F, OH) Monolayer

(2012) Qing Tang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A first principle Comparative study of electronic and optical properties of 1H – MoS2 and 2H – MoS2

(2012) Ashok Kumar et al.   MATERIALS CHEMISTRY AND PHYSICS

A theoretical analysis of the effect of the hydrogenation of graphene to graphane on its mechanical properties

(2012) Qing Peng et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Quasiparticle Dynamics and Phonon Softening in FeSe Superconductors

(2012) C. W. Luo et al.   PHYSICAL REVIEW LETTERS

KFe2Se2is the Parent Compound of K-Doped Iron Selenide Superconductors

(2012) Wei Li et al.   PHYSICAL REVIEW LETTERS

Two-Dimensional Nanocrystals Produced by Exfoliation of Ti3AlC2

(2011) Michael Naguib et al.   ADVANCED MATERIALS

New Route for Stabilization of 1T-WS2 and MoS2 Phases

(2011) Andrey N. Enyashin et al.   Journal of Physical Chemistry C

Superconductivity in the iron selenideKxFe2Se2(0≤x≤1.0)

(2010) Jiangang Guo et al.   PHYSICAL REVIEW B

Nanostructures and lithium electrochemical reactivity of lithium titanites and titanium oxides: A review

(2009) Zhenguo Yang et al.   JOURNAL OF POWER SOURCES

Density functional study of FeS, FeSe, and FeTe: Electronic structure, magnetism, phonons, and superconductivity

(2008) Alaska Subedi et al.   PHYSICAL REVIEW B