First-principles study on electronic and optical properties of van der Waals heterostructures stacked by g-ZnO and Janus-WSSe monolayers

Electronic Bandstructure Modulation of MoX2/ZnO(X:S,Se) Heterostructure by Applying External Electric Field.†

(2022) Neha Kapila Sharma et al.   Surfaces and Interfaces

“Capture-Backdonation-Recapture” Mechanism for Promoting N2 Reduction by Heteronuclear Metal-Free Double-Atom Catalysts

(2022) Yibo Wu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Design of Novel Transition-Metal-Doped C6N2 with High-Efficiency Polysulfide Anchoring and Catalytic Performances toward Application in Lithium–Sulfur Batteries

(2022) Cheng He et al.   ACS Applied Materials & Interfaces

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

(2021) C. He et al.   APPLIED SURFACE SCIENCE

The InSe/g-CN van der Waals hybrid heterojunction as a photocatalyst for water splitting driven by visible light

(2021) Cheng He et al.   CHINESE CHEMICAL LETTERS

Spontaneous Enhanced Visible-Light-Driven Photocatalytic Water Splitting on Novel Type-II GaSe/CN and Ga2SSe/CN vdW Heterostructures

(2021) W. X. Zhang et al.   Journal of Physical Chemistry Letters

Novel Design Strategy of High Activity Electrocatalysts toward Nitrogen Reduction Reaction via Boron–Transition-Metal Hybrid Double-Atom Catalysts

(2021) Yibo Wu et al.   ACS Applied Materials & Interfaces

Reaching the Excitonic Limit in 2D Janus Monolayers by In Situ Deterministic Growth

(2021) Ying Qin et al.   ADVANCED MATERIALS

Electronic properties and tunable Schottky barrier of non-Janus MoSSe/graphene heterostructures

(2021) Jian-Qiao Yu et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Strain-tunable band alignment of blue phosphorus–WX2 (X = S/Se/Te) vertical heterostructures: from first-principles study

(2020) Honglin Li et al.   APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

High-efficiency photocatalyst for water splitting: a Janus MoSSe/XN (X  =  Ga, Al) van der Waals heterostructure

(2020) Kai Ren et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Vertical Chemical Vapor Deposition Growth of Highly Uniform 2D Transition Metal Dichalcogenides

(2020) Lei Tang et al.   ACS Nano

A MoSSe/blue phosphorene vdw heterostructure with energy conversion efficiency of 19.9% for photocatalytic water splitting

(2020) Yi Luo et al.   SEMICONDUCTOR SCIENCE AND TECHNOLOGY

Effective carrier separation in zinc oxide and boron phosphide van der Waals heterostructure

(2020) Ru Zhang et al.   APPLIED SURFACE SCIENCE

Discovery of hexagonal ternary phase Ti2InB2 and its evolution to layered boride TiB

(2019) Junjie Wang et al.   Nature Communications

Incremental photocatalytic reduction of graphene oxide on vertical ZnO nanorods for ultraviolet sensing

(2019) Kourosh Rahimi et al.   MATERIALS LETTERS

Possible bandgap values of graphene-like ZnO in density functional theory corrected by the Hubbard U term and HSE hybrid functional

(2019) Asiye Shokri et al.   Materials Today Communications

MoS2/ZnO van der Waals heterostructure as a high-efficiency water splitting photocatalyst: a first-principles study

(2018) Sake Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Chemical intuition for high thermoelectric performance in monolayer black phosphorus, α-arsenene and aW-antimonene

(2018) Bo Peng et al.   Journal of Materials Chemistry A

Strain-Induced Band Structure Modulation in Hexagonal Boron Phosphide/Blue Phosphorene vdW Heterostructure

(2018) Jialin Li et al.   Journal of Physical Chemistry C

Preparation of MoS2@ZnO heterostructure with enhanced photocatalytic activity

(2018) Min Liu et al.   Materials Research Express

Janus monolayers of transition metal dichalcogenides

(2017) Ang-Yu Lu et al.   Nature Nanotechnology

2D phosphorene as a water splitting photocatalyst: fundamentals to applications

(2016) Mohammad Ziaur Rahman et al.   Energy & Environmental Science

Photonics and optoelectronics of 2D semiconductor transition metal dichalcogenides

(2016) Kin Fai Mak et al.   Nature Photonics

2D materials and van der Waals heterostructures

(2016) K. S. Novoselov et al.   SCIENCE

Physical and chemical tuning of two-dimensional transition metal dichalcogenides

(2015) Haotian Wang et al.   CHEMICAL SOCIETY REVIEWS

Computational Screening of 2D Materials for Photocatalysis

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

Semiconductor heterojunction photocatalysts: design, construction, and photocatalytic performances

(2014) Huanli Wang et al.   CHEMICAL SOCIETY REVIEWS

Structural, electronic, optical, elastic properties and Born effective charges of monoclinic HfO2from first-principles calculations

(2014) Qi-Jun Liu et al.   Chinese Physics B

Strain engineering of WS2, WSe2, and WTe2

(2014) B. Amin et al.   RSC Advances

Stability and physical properties of a tri-ring based porous g-C4N3 sheet

(2013) Xiaowei Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

Effect of the damping function in dispersion corrected density functional theory

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

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

First-Principles Study on Physical Properties of a Single ZnO Monolayer with Graphene-Like Structure

(2010) Z. C. Tu   Journal of Computational and Theoretical Nanoscience