Rotational design of BP/XY2 (X  =  Mo, W; Y  =  S, Se) composites for overall photocatalytic water-splitting

First-principle study of electronic and optical properties of two-dimensional materials-based heterostructures based on transition metal dichalcogenides and boron phosphide

(2019) Kai Ren et al.   APPLIED SURFACE SCIENCE

Interface Engineering of Monolayer MoS2/GaN Hybrid Heterostructure: Modified Band Alignment for Photocatalytic Water Splitting Application by Nitridation Treatment

(2018) Zhaofu Zhang et al.   ACS Applied Materials & Interfaces

Active modulation of electromagnetically induced transparency analogue in terahertz hybrid metal-graphene metamaterials

(2018) Shuyuan Xiao et al.   CARBON

Unconventional superconductivity in magic-angle graphene superlattices

(2018) Yuan Cao et al.   NATURE

Tunable Photocatalytic Properties of GaN-Based Two-Dimensional Heterostructures

(2018) Guang-Zhao Wang et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Tuning the electronic properties and Schottky barrier height of the vertical graphene/MoS 2 heterostructure by an electric gating

(2018) Chuong V. Nguyen   SUPERLATTICES AND MICROSTRUCTURES

ZnO/MoX2 (X = S, Se) composites used for visible light photocatalysis

(2018) Guangzhao Wang et al.   RSC Advances

Interfacial Coupling Effect on Electron Transport in MoS2/SrTiO3 Heterostructure: An Ab-initio Study

(2018) Amreen Bano et al.   Scientific Reports

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

Electronic structures and enhanced photocatalytic properties of blue phosphorene/BSe van der Waals heterostructures

(2018) Bao-Ji Wang et al.   Journal of Materials Chemistry A

Borophene: Stretch-Driven Increase in Ultrahigh Thermal Conductance of Hydrogenated Borophene and Dimensionality Crossover in Phonon Transmission (Adv. Funct. Mater. 31/2018)

(2018) Dengfeng Li et al.   ADVANCED FUNCTIONAL MATERIALS

Twistable electronics with dynamically rotatable heterostructures

(2018) Rebeca Ribeiro-Palau et al.   SCIENCE

Electronic and optical properties of heterostructures based on transition metal dichalcogenides and graphene-like zinc oxide

(2018) Sake Wang et al.   Scientific Reports

Two-dimensional CdS/g-C6N6 heterostructure used for visible light photocatalysis

(2018) Guangzhao Wang et al.   APPLIED SURFACE SCIENCE

Enhancing visible light photocatalytic activity of KNbO $$_{3}$$ 3 by N–F passivated co-doping for hydrogen generation by water splitting

(2017) Guangzhao Wang et al.   JOURNAL OF MATERIALS SCIENCE

Tunable Structural, Electronic, and Optical Properties of Layered Two-Dimensional C2N and MoS2 van der Waals Heterostructure as Photovoltaic Material

(2017) Zhaoyong Guan et al.   Journal of Physical Chemistry C

Tailoring the Electronic Band Gap and Band Edge Positions in the C2N Monolayer by P and As Substitution for Photocatalytic Water Splitting

(2017) M. R. Ashwin Kishore et al.   Journal of Physical Chemistry C

Tuning Electronic Properties of Monolayer Hexagonal Boron Phosphide with Group III–IV–V Dopants

(2017) Berk Onat et al.   Journal of Physical Chemistry C

A two-dimensional layered CdS/C2N heterostructure for visible-light-driven photocatalysis

(2017) Xukai Luo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electrical and optical behaviors of SiC(GeC)/MoS2 heterostructures: a first principles study

(2017) Yong-Chao Rao et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Insights into the thermoelectric properties of SnSe from ab initio calculations

(2017) Robert L. González-Romero et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electric-field-induced widely tunable direct and indirect band gaps in hBN/MoS2 van der Waals heterostructures

(2017) Quan Li et al.   Journal of Materials Chemistry C

New insight into the enhanced photocatalytic activity of N-, C- and S-doped ZnO photocatalysts

(2016) Weilai Yu et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Hybrid Density Functional Study on Mono- and Codoped NaNbO3for Visible-Light Photocatalysis

(2016) Guang-Zhao Wang et al.   CHEMPHYSCHEM

Efficient band structure tuning, charge separation, and visible-light response in ZrS2-based van der Waals heterostructures

(2016) Xirui Zhang et al.   Energy & Environmental Science

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

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

Double-Hole-Mediated Codoping on KNbO3 for Visible Light Photocatalysis

(2016) Guangzhao Wang et al.   INORGANIC CHEMISTRY

Interfacial Interaction between HfO2 and MoS2: From Thin Films to Monolayer

(2016) Ming Yang et al.   Journal of Physical Chemistry C

Gate tunable WSe2–BP van der Waals heterojunction devices

(2016) Peng Chen et al.   Nanoscale

Two-dimensional BX (X = P, As, Sb) semiconductors with mobilities approaching graphene

(2016) Meiqiu Xie et al.   Nanoscale

Effect of multilayer structure, stacking order and external electric field on the electrical properties of few-layer boron-phosphide

(2016) Xianping Chen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Exploring the Role of La Codoping beyond Charge Compensation for Enhanced Hydrogen Evolution by Rh–SrTiO3

(2015) Brindaban Modak et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Electronic Properties of Phosphorene/Graphene and Phosphorene/Hexagonal Boron Nitride Heterostructures

(2015) Yongqing Cai et al.   Journal of Physical Chemistry C

Role of F in Improving the Photocatalytic Activity of Rh-Doped SrTiO3

(2015) Brindaban Modak et al.   Journal of Physical Chemistry C

Computational Screening of 2D Materials for Photocatalysis

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

A hybrid density functional study on the visible light photocatalytic activity of (Mo,Cr)–N codoped KNbO3

(2015) Guangzhao Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Photocatalytic Activity of NaTaO3 Doped with N, Mo, and (N,Mo): A Hybrid Density Functional Study

(2014) Brindaban Modak et al.   Journal of Physical Chemistry C

Design of High-Efficiency Visible-Light Photocatalysts for Water Splitting: MoS2/AlN(GaN) Heterostructures

(2014) Jiamin Liao et al.   Journal of Physical Chemistry C

Thermal Conductivity of Graphene Laminate

(2014) H. Malekpour et al.   NANO LETTERS

Enhanced photocatalytic mechanism for the hybrid g-C3N4/MoS2 nanocomposite

(2014) Jiajun Wang et al.   Journal of Materials Chemistry A

Single-Layer Group-III Monochalcogenide Photocatalysts for Water Splitting

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

MoS2/MX2 heterobilayers: bandgap engineering via tensile strain or external electrical field

(2013) Ning Lu et al.   Nanoscale

Electronic Band Structures of Molybdenum and Tungsten Dichalcogenides by the GW Approach

(2012) Hong Jiang   Journal of Physical Chemistry C

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

Mechanical properties of graphene nanoribbons

(2009) Ricardo Faccio et al.   JOURNAL OF PHYSICS-CONDENSED MATTER