Constructing a novel metal-free g-C3N4/g-CN vdW heterostructure with enhanced visible-light-driven photocatalytic activity for water splitting

GeC/GaN vdW Heterojunctions: a Promising Photocatalyst for Overall Water Splitting and Solar Energy Conversion

(2020) Ping Lou et al.   ACS Applied Materials & Interfaces

Band Gap Opening of Graphdiyne Monolayer via B, N-Codoping for Photocatalytic Overall Water Splitting: Design Strategy from DFT Studies

(2020) JunKang Xu et al.   Journal of Physical Chemistry C

Constructing MoS2/g-C3N4 heterojunction with enhanced oxygen evolution reaction activity: A theoretical insight

(2020) Zhe Xue et al.   APPLIED SURFACE SCIENCE

Strain, electric-field and functionalization induced widely tunable electronic properties in MoS2/BC 3, /C 3 N and /$C_{3}N_{4}$ van der Waals heterostructures

(2020) A Bafekry et al.   NANOTECHNOLOGY

Halogen modified two-dimensional covalent triazine frameworks as visible-light driven photocatalysts for overall water splitting

(2020) Cen-Feng Fu et al.   Science China-Chemistry

Combined CdS/In2S3 heterostructures with cocatalyst for boosting carriers separation and photoelectrochemical water splitting

(2020) Ling Wei et al.   APPLIED SURFACE SCIENCE

Theoretical insights into heterogeneous single-atom Fe1 catalysts supported by graphene-based substrates for water splitting

(2020) Jing Yang et al.   APPLIED SURFACE SCIENCE

Advantageous Interfacial Effects of AgPd/g‐C 3 N 4 for Photocatalytic Hydrogen Evolution: Electronic Structure and H 2 O Dissociation

(2019) Weixin Zou et al.   CHEMISTRY-A EUROPEAN JOURNAL

Type-II InSe/g-C3N4 Heterostructure as a High-Efficiency Oxygen Evolution Reaction Catalyst for Photoelectrochemical Water Splitting

(2019) C. He et al.   Journal of Physical Chemistry Letters

Two dimensional InSe/C2N van der Waals heterojunction as enhanced visible-light-responsible photocatalyst for water splitting

(2019) Biao Wang et al.   APPLIED SURFACE SCIENCE

Graphyne doped with transition-metal single atoms as effective bifunctional electrocatalysts for water splitting

(2019) Xiaoping Gao et al.   APPLIED SURFACE SCIENCE

Insights into the Most Suitable TiO2 Surfaces for Photocatalytic O2 and H2 Evolution Reactions from DFT Calculations

(2019) Moussab Harb et al.   Journal of Physical Chemistry C

Two-dimensional ZnO/BSe van der waals heterostructure used as a promising photocatalyst for water splitting: A DFT study

(2019) Kai Ren et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Adjustable photocatalytic ability of monolayer g-C 3 N 4 utilizing single–metal atom: Density functional theory

(2018) Huanhuan Li et al.   APPLIED SURFACE SCIENCE

Solvothermal synthesis of metallic 1T-WS 2 : A supporting co-catalyst on carbon nitride nanosheets toward photocatalytic hydrogen evolution

(2018) Jianjian Yi et al.   CHEMICAL ENGINEERING JOURNAL

In-situ construction of hierarchical CdS/MoS 2 microboxes for enhanced visible-light photocatalytic H 2 production

(2018) Yu Liu et al.   CHEMICAL ENGINEERING JOURNAL

Single Ru atom supported on defective graphene for water splitting: DFT and microkinetic investigation

(2018) Xiangyu Guo et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Photodissociation dynamics of H2O at 111.5 nm by a vacuum ultraviolet free electron laser

(2018) Heilong Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Versatile two-dimensional silicon diphosphide (SiP2) for photocatalytic water splitting

(2018) Sri Kasi Matta et al.   Nanoscale

A theoretical study on the electronic properties of in-plane CdS/ZnSe heterostructures: type-II band alignment for water splitting

(2018) Hongchao Yang et al.   Journal of Materials Chemistry A

PdSeO3 Monolayer: Promising Inorganic 2D Photocatalyst for Direct Overall Water Splitting Without Using Sacrificial Reagents and Cocatalysts

(2018) Man Qiao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Material Design for Photocatalytic Water Splitting from a Theoretical Perspective

(2018) Cen-Feng Fu et al.   ADVANCED MATERIALS

Stable GaSe-Like Phosphorus Carbide Monolayer with Tunable Electronic and Optical Properties from Ab Initio Calculations

(2018) Xiaolin Cai et al.   Materials

A novel metal-free two-dimensional material for photocatalytic water splitting – phosphorus nitride (γ-PN)

(2017) Xiaohong Tan et al.   RSC Advances

Tri-s-triazine-Based Crystalline Graphitic Carbon Nitrides for Highly Efficient Hydrogen Evolution Photocatalysis

(2016) Lihua Lin et al.   ACS Catalysis

How CdS nanoparticles can influence TiO 2 nanotube arrays in solar energy applications?

(2015) M. Qorbani et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Physical and chemical tuning of two-dimensional transition metal dichalcogenides

(2015) Haotian Wang et al.   CHEMICAL SOCIETY REVIEWS

Two-dimensional transition metal dichalcogenide (TMD) nanosheets

(2015) Manish Chhowalla et al.   CHEMICAL SOCIETY REVIEWS

Visible-light activation of TiO2 photocatalysts: Advances in theory and experiments

(2015) Vinodkumar Etacheri et al.   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY C-PHOTOCHEMISTRY REVIEWS

Computational Screening of 2D Materials for Photocatalysis

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

Tuning the Optical, Magnetic, and Electrical Properties of ReSe2 by Nanoscale Strain Engineering

(2015) Shengxue Yang et al.   NANO LETTERS

Hexagonal rare-earth manganites as promising photovoltaics and light polarizers

(2015) Xin Huang et al.   PHYSICAL REVIEW B

Metal-free efficient photocatalyst for stable visible water splitting via a two-electron pathway

(2015) Juan Liu et al.   SCIENCE

Photocatalytic splitting of water on s-triazine based graphitic carbon nitride: an ab initio investigation

(2015) K. Srinivasu et al.   Journal of Materials Chemistry A

Porous Graphitic Carbon Nitride: A Possible Metal-free Photocatalyst for Water Splitting

(2014) K. Srinivasu et al.   Journal of Physical Chemistry C

Layered Nanojunctions for Hydrogen-Evolution Catalysis

(2013) Yidong Hou et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Single-Layer Group-III Monochalcogenide Photocatalysts for Water Splitting

(2013) Houlong L. Zhuang et al.   CHEMISTRY OF MATERIALS

Bandgap Engineering of Strained Monolayer and Bilayer MoS2

(2013) Hiram J. Conley et al.   NANO LETTERS

First principles study on the hydrophilic and conductive graphene doped with Al atoms

(2013) Q. G. Jiang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Modeling, simulation, and design criteria for photoelectrochemical water-splitting systems

(2012) Sophia Haussener et al.   Energy & Environmental Science

Electronics and optoelectronics of two-dimensional transition metal dichalcogenides

(2012) Qing Hua Wang et al.   Nature Nanotechnology

Strain-engineered artificial atom as a broad-spectrum solar energy funnel

(2012) Ji Feng et al.   Nature Photonics

Effect of the damping function in dispersion corrected density functional theory

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

Synthesis of Visible-Light Responsive Graphene Oxide/TiO2 Composites with p/n Heterojunction

(2010) Chao Chen et al.   ACS Nano

Recent advances in nanoelectrode architecture for photochemical hydrogen production

(2010) Hyung Gyu Park et al.   Energy & Environmental Science

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

GW quasiparticle spectra from occupied states only

(2010) P. Umari et al.   PHYSICAL REVIEW B

Optimal representation of the polarization propagator for large-scaleGWcalculations

(2009) P. Umari et al.   PHYSICAL REVIEW B

Oxidation and Photo-Oxidation of Water on TiO2 Surface

(2008) Á. Valdés et al.   Journal of Physical Chemistry C