Tunable properties of ZnSe/graphene heterostructure as a promising candidate for photo/electro-catalyst applications

Impact of the vertical strain on the Schottky barrier height for graphene/AlN heterojunction: a study by the first-principles method

(2021) Xuefei Liu et al.   EUROPEAN PHYSICAL JOURNAL B

VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code

(2021) Vei Wang et al.   COMPUTER PHYSICS COMMUNICATIONS

Two-dimensional Janus-In2STe/InSe heterostructure with direct gap and staggered band alignment

(2020) Xueping Li et al.   APPLIED SURFACE SCIENCE

A DFT study on the effect of the external electric field on ammonia interaction with boron nitride nano-cage

(2020) H.M. Badran et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

First-principles study of mechanical, electronic and optical properties of Janus structure in transition metal dichalcogenides

(2020) Vuong Van Thanh et al.   APPLIED SURFACE SCIENCE

Single–atom manganese and nitrogen co-doped graphene as low-cost catalysts for the efficient CO oxidation at room temperature

(2020) Mingming Luo et al.   APPLIED SURFACE SCIENCE

The external electric‐field‐induced Schottky‐to‐ohmic contact transition in graphene/ As 2 S 3 interface: A study by the first principles

(2020) Xuefei Liu et al.   INTERNATIONAL JOURNAL OF ENERGY RESEARCH

Electronic, magnetic and optical properties of monolayer (ML) hexagonal ZnSe on vacancy defects at Zn sites from DFT-1/2 approach

(2020) D.P. Rai et al.   VACUUM

2D HfN2/graphene interface based Schottky device: Unmatched controllability in electrical contacts and carrier concentration via electrostatic gating and out-of-plane strain

(2020) Manish Kumar Mohanta et al.   APPLIED SURFACE SCIENCE

High-performance single atom bifunctional oxygen catalysts derived from ZIF-67 superstructures

(2019) Xueping Sun et al.   Nano Energy

Tunable electronic and optical properties of novel ZnSe/AlP van der Waals heterostructure

(2019) Aihu Xiong et al.   Materials Research Express

Graphene/WSeTe van der Waals heterostructure: Controllable electronic properties and Schottky barrier via interlayer coupling and electric field

(2019) Tuan V. Vu 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

Janus Structures of Transition Metal Dichalcogenides as the Heterojunction Photocatalysts for Water Splitting

(2018) Yujin Ji et al.   Journal of Physical Chemistry C

h-BN/graphene van der Waals vertical heterostructure: a fully spin-polarized photocurrent generator

(2018) Xixi Tao et al.   Nanoscale

Structural, electronic and mechanical properties of two-dimensional Janus transition metal carbides and nitrides

(2018) Wei Jin et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Material descriptors for photocatalyst/catalyst design

(2018) Xijun Wang et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Effect of temperature and pH on structural, optical and electrical properties of Ni doped ZnSe nanoparticles

(2016) N. Priyadharsini et al.   OPTIK

Two-dimensional van der Waals nanocomposites as Z-scheme type photocatalysts for hydrogen production from overall water splitting

(2016) Cen-Feng Fu et al.   Journal of Materials Chemistry A

A high-performance three-dimensional Ni–Fe layered double hydroxide/graphene electrode for water oxidation

(2015) Xiaowen Yu et al.   Journal of Materials Chemistry A

Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways

(2014) Kiran Mathew et al.   JOURNAL OF CHEMICAL PHYSICS

Flexible Graphene Electrode-Based Organic Photovoltaics with Record-High Efficiency

(2014) Hyesung Park et al.   NANO LETTERS

High-mobility transport anisotropy and linear dichroism in few-layer black phosphorus

(2014) Jingsi Qiao et al.   Nature Communications

Controlled Solvothermal Synthesis of Nanosheets, Nanobelts, and Ultralong Nanobelt Arrays with Honeycomb-Like Micropatterns of ZnSe on Zinc Substrate

(2008) Lihui Zhang et al.   INORGANIC CHEMISTRY