A first-principles examination of conducting monolayer 1T′-MX2 (M = Mo, W; X = S, Se, Te): promising catalysts for hydrogen evolution reaction and its enhancement by strain

Cobalt Nanoparticles Embedded in Nitrogen-Doped Carbon for the Hydrogen Evolution Reaction

(2015) Huilong Fei et al.   ACS Applied Materials & Interfaces

Single-Shell Carbon-Encapsulated Iron Nanoparticles: Synthesis and High Electrocatalytic Activity for Hydrogen Evolution Reaction

(2015) Mohammad Tavakkoli et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Charge Mediated Semiconducting-to-Metallic Phase Transition in Molybdenum Disulfide Monolayer and Hydrogen Evolution Reaction in New 1T′ Phase

(2015) Guoping Gao et al.   Journal of Physical Chemistry C

Carbon-protected bimetallic carbide nanoparticles for a highly efficient alkaline hydrogen evolution reaction

(2015) Yipu Liu et al.   Nanoscale

Weakly-bound hydrogen on defected Pt(111)

(2015) Sam K. Jo   SURFACE SCIENCE

Highly porous non-precious bimetallic electrocatalysts for efficient hydrogen evolution

(2015) Qi Lu et al.   Nature Communications

Highly Active Electrocatalysis of the Hydrogen Evolution Reaction by Cobalt Phosphide Nanoparticles

(2014) Eric J. Popczun et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

First principles study on the adsorption of Ptn (n=1–4) on γ-Al2O3(110) surface

(2014) Yulu Liu et al.   APPLIED SURFACE SCIENCE

Highly active and durable non-precious-metal catalysts encapsulated in carbon nanotubes for hydrogen evolution reaction

(2014) Jiao Deng et al.   Energy & Environmental Science

DFT-D3 Study of Some Molecular Crystals

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

Pressure-Dependent Optical and Vibrational Properties of Monolayer Molybdenum Disulfide

(2014) Avinash P. Nayak et al.   NANO LETTERS

Tuning the MoS2 Edge-Site Activity for Hydrogen Evolution via Support Interactions

(2014) Charlie Tsai et al.   NANO LETTERS

Semimetallic molybdenum disulfide ultrathin nanosheets as an efficient electrocatalyst for hydrogen evolution

(2014) Xu Sun et al.   Nanoscale

Atomic mechanism of the semiconducting-to-metallic phase transition in single-layered MoS2

(2014) Yung-Chang Lin et al.   Nature Nanotechnology

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

Chemically exfoliated single-layerMoS2: Stability, lattice dynamics, and catalytic adsorption from first principles

(2014) Matteo Calandra   PHYSICAL REVIEW B

Structural phase transitions in two-dimensional Mo- and W-dichalcogenide monolayers

(2014) Karel-Alexander N. Duerloo et al.   Nature Communications

Recent Development of Molybdenum Sulfides as Advanced Electrocatalysts for Hydrogen Evolution Reaction

(2014) Ya Yan et al.   ACS Catalysis

Metal Dichalcogenides Monolayers: Novel Catalysts for Electrochemical Hydrogen Production

(2014) Hui Pan   Scientific Reports

Site-specific catalytic activity in exfoliated MoS2single-layer polytypes for hydrogen evolution: basal plane and edges

(2014) Xiao-Li Fan et al.   Journal of Materials Chemistry A

Highly Effective Visible-Light-Induced H2Generation by Single-Layer 1T-MoS2and a Nanocomposite of Few-Layer 2H-MoS2with Heavily Nitrogenated Graphene

(2013) Urmimala Maitra et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A new (2 × 1) dimerized structure of monolayer 1T-molybdenum disulfide, studied from first principles calculations

(2013) Ting Hu et al.   JOURNAL OF CHEMICAL PHYSICS

Enhanced Hydrogen Evolution Catalysis from Chemically Exfoliated Metallic MoS2 Nanosheets

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

Conducting MoS2 Nanosheets as Catalysts for Hydrogen Evolution Reaction

(2013) Damien Voiry et al.   NANO LETTERS

Enhanced catalytic activity in strained chemically exfoliated WS2 nanosheets for hydrogen evolution

(2013) Damien Voiry et al.   NATURE MATERIALS

Strain-dependent modulation of conductivity in single-layer transition-metal dichalcogenides

(2013) M. Ghorbani-Asl et al.   PHYSICAL REVIEW B

Orbital analysis of electronic structure and phonon dispersion in MoS2, MoSe2, WS2, and WSe2monolayers under strain

(2013) Chung-Huai Chang et al.   PHYSICAL REVIEW B

Electrochemical tuning of vertically aligned MoS2 nanofilms and its application in improving hydrogen evolution reaction

(2013) H. Wang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Electromechanics in MoS2 and WS2: nanotubes vs. monolayers

(2013) Mahdi Ghorbani-Asl et al.   Scientific Reports

Implementation of empirical dispersion corrections to density functional theory for periodic systems

(2012) Werner Reckien et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Stable, Single-Layer MX2 Transition-Metal Oxides and Dichalcogenides in a Honeycomb-Like Structure

(2012) C. Ataca et al.   Journal of Physical Chemistry C

Theory of electrocatalysis: hydrogen evolution and more

(2012) E. Santos et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Stretching and Breaking of Ultrathin MoS2

(2011) Simone Bertolazzi et al.   ACS Nano

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

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

Density functional theory in surface chemistry and catalysis

(2011) J. K. Norskov et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Modeling the Electrochemical Hydrogen Oxidation and Evolution Reactions on the Basis of Density Functional Theory Calculations

(2010) Egill Skúlason et al.   Journal of Physical Chemistry C

Hydrogen Oxidation and Evolution Reaction Kinetics on Platinum: Acid vs Alkaline Electrolytes

(2010) Wenchao Sheng et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Towards the computational design of solid catalysts

(2009) J. K. Nørskov et al.   Nature Chemistry

Nanoparticlecatalysts with high energy surfaces and enhanced activity synthesized by electrochemical method

(2008) Zhi-You Zhou et al.   FARADAY DISCUSSIONS

First-principles calculations of the ferroelastic transition between rutile-type andCaCl2-typeSiO2at high pressures

(2008) Atsushi Togo et al.   PHYSICAL REVIEW B