Monolayer MoSi2N4- as promising electrocatalyst for hydrogen evolution reaction: A DFT prediction

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

(2021) Lei Wang et al.   Nature Communications

Tunable electronic and magnetic properties of MoSi2N4 monolayer via vacancy defects, atomic adsorption and atomic doping

(2021) A. Bafekry et al.   APPLIED SURFACE SCIENCE

Turning main-group element magnesium into a highly active electrocatalyst for oxygen reduction reaction

(2020) Shuai Liu et al.   Nature Communications

Construction 0D TiO2 nanoparticles/2D CoP nanosheets heterojunctions for enhanced photocatalytic H2 evolution activity

(2020) Qinqin Liu et al.   JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY

Liquid exfoliating CdS and MoS2 to construct 2D/2D MoS2/CdS heterojunctions with significantly boosted photocatalytic H2 evolution activity

(2020) Minghui Xiong et al.   JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY

Chemical vapor deposition of amorphous molybdenum sulphide on black phosphorus for photoelectrochemical water splitting

(2020) Yuanmei Xu et al.   JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY

Performance of Ni-Cu bimetallic co-catalyst g-C3N4 nanosheets for improving hydrogen evolution

(2020) Zhiliang Jin et al.   JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY

Chemical vapor deposition of layered two-dimensional MoSi2N4 materials

(2020) Yi-Lun Hong et al.   SCIENCE

Na-doped ruthenium perovskite electrocatalysts with improved oxygen evolution activity and durability in acidic media

(2019) María Retuerto et al.   Nature Communications

Chlorine doped graphitic carbon nitride nanorings as an efficient photoresponsive catalyst for water oxidation and organic decomposition

(2019) Er-Xun Han et al.   JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY

Phosphorous-doped molybdenum disulfide anchored on silicon as an efficient catalyst for photoelectrochemical hydrogen generation

(2019) Chih-Jung Chen et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

N-doped graphitic carbon materials hybridized with transition metals (compounds) for hydrogen evolution reaction: Understanding the synergistic effect from atomistic level

(2018) Wei Pei et al.   CARBON

Prediction of Enhanced Catalytic Activity for Hydrogen Evolution Reaction in Janus Transition Metal Dichalcogenides

(2018) Dequan Er et al.   NANO LETTERS

MXene nanoribbons as electrocatalysts for the hydrogen evolution reaction with fast kinetics

(2018) Xiaowei Yang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Material Discovery and Design Principles for Stable, High Activity Perovskite Cathodes for Solid Oxide Fuel Cells

(2018) Ryan Jacobs et al.   Advanced Energy Materials

Amorphous Phosphorus-Doped Cobalt Sulfide Modified on Silicon Pyramids for Efficient Solar Water Reduction

(2018) Chih-Jung Chen et al.   ACS Applied Materials & Interfaces

Graphene nanoribbon-TiO2-quantum dots hybrid photoanode to boost the performance of photoelectrochemical for hydrogen generation

(2018) Rusoma Akilimali et al.   CATALYSIS TODAY

An electronic structure descriptor for oxygen reactivity at metal and metal-oxide surfaces

(2018) Colin F. Dickens et al.   SURFACE SCIENCE

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

(2017) Charlie Tsai et al.   Nature Communications

Catalytic Activity and Stability of Oxides: The Role of Near-Surface Atomic Structures and Compositions

(2016) Zhenxing Feng et al.   ACCOUNTS OF CHEMICAL RESEARCH

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

Defects Engineered Monolayer MoS2 for Improved Hydrogen Evolution Reaction

(2016) Gonglan Ye et al.   NANO LETTERS

Mechanism of Hydrogen Evolution Reaction on 1T-MoS2 from First Principles

(2016) Qing Tang et al.   ACS Catalysis

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

Rising Again: Opportunities and Challenges for Platinum-Free Electrocatalysts

(2015) Muhammad A. Abbas et al.   CHEMISTRY OF MATERIALS

Metal/Oxide Interface Nanostructures Generated by Surface Segregation for Electrocatalysis

(2015) Zhe Weng et al.   NANO LETTERS

The problem with platinum

(2015) David Holmes   NATURE

Activating and optimizing MoS2 basal planes for hydrogen evolution through the formation of strained sulphur vacancies

(2015) Hong Li et al.   NATURE MATERIALS

Atomic cobalt on nitrogen-doped graphene for hydrogen generation

(2015) Huilong Fei et al.   Nature Communications

Hydrogen evolution by a metal-free electrocatalyst

(2014) Yao Zheng et al.   Nature Communications

Defect-Rich MoS2Ultrathin Nanosheets with Additional Active Edge Sites for Enhanced Electrocatalytic Hydrogen Evolution

(2013) Junfeng Xie et al.   ADVANCED MATERIALS

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

(2013) Damien Voiry et al.   NATURE MATERIALS

Double perovskites as a family of highly active catalysts for oxygen evolution in alkaline solution

(2013) Alexis Grimaud et al.   Nature Communications

Opportunities and challenges for a sustainable energy future

(2012) Steven Chu et al.   NATURE

Effect of the damping function in dispersion corrected density functional theory

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

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

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

Structural Defects in Graphene

(2010) Florian Banhart et al.   ACS Nano

Trends in Metal Oxide Stability for Nanorods, Nanotubes, and Surfaces

(2010) D. J. Mowbray et al.   Journal of Physical Chemistry C

Influence of water on elementary reaction steps in electrocatalysis

(2008) Yoshihiro Gohda et al.   FARADAY DISCUSSIONS

Ab-initiosimulations of materials using VASP: Density-functional theory and beyond

(2008) Jürgen Hafner   JOURNAL OF COMPUTATIONAL CHEMISTRY