Construction of ZnO/GaN in-plane heterojunction with different contacted modes and vacancy defects for improving magnetic and adsorption properties

The design of heterojunctions based on boron-/phosphorus-doped graphene and ZnO monolayer to enhance adsorption properties for toxic gases

(2022) Jijun Ding et al.   JOURNAL OF APPLIED PHYSICS

“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

First-principles investigation on electrical and adsorption properties of the ZnO/Silicene heterostructures: The role of Ag and N co-doping and external electric field

(2022) Jijun Ding et al.   FlatChem

Adsorption of SF6 decomposition gases (H2S, SO2, SOF2 and SO2F2) on Sc-doped MoS2 surface: A DFT study

(2021) Baoliang Li et al.   APPLIED SURFACE SCIENCE

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

Influence of van der waals heterostructures of 2D materials on catalytic performance of ZnO and its applications in energy: A review

(2021) Nisar Fatima et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Electronic and optical properties of two-dimensional GaN/ZnO heterojunction tuned by different stacking configurations

(2021) Sihao Xia et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

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

Pd-decorated GaN monolayer as a promising scavenger for SO2 and SOF2 in SF6 insulation equipment: A first-principles study

(2021) Pengfei Jia et al.   Computational and Theoretical Chemistry

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

Enhanced adsorption properties of ZnO/GaN heterojunction for CO and H2S under external electric field

(2021) Yanxin Jin et al.   Computational and Theoretical Chemistry

First-principles investigation upon H2 and C2H2 adsorptions on the Ag-decorated InN monolayer for gas sensor development

(2021) Shouzhuang Pi et al.   Computational and Theoretical Chemistry

Adsorption and sensing behaviors of SF6 decomposed species on Ni-doped C3N monolayer: A first-principles study

(2020) Hao Cui et al.   APPLIED SURFACE SCIENCE

Effect of vacancy defects of SnS on gas adsorption and its potential for selective gas detection

(2020) Yuxiang Qin et al.   VACUUM

DFT study on point defects migration through the pseudomorphic and lattice-matched InN/GaN interfaces

(2020) Roman Hrytsak et al.   COMPUTATIONAL MATERIALS SCIENCE

Adsorption of C6H6 and C7H8 onto pristine and metal (Pd, Pt)-mediated ZnO monolayers: Electronic and gas sensing properties

(2020) Lanli Chen et al.   APPLIED SURFACE SCIENCE

Adsorbed of toxic gas molecules (CO, H2S, and NO) on alkali-metal-doped g-GaN monolayer

(2020) Yanpeng Zheng et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Influence of length and interface structure on electron transport properties of graphene-MoS2 in-plane heterojunction

(2019) Yuhao Zhou et al.   APPLIED SURFACE SCIENCE

Theoretical prediction of two-dimensional ZnO/GaN van der Waals heterostructure as a photocatalyst for water splitting

(2019) Kai Ren et al.   CHEMICAL PHYSICS

Adsorption of CO, NO, and NH3 on ZnO monolayer decorated with noble metal (Ag, Au)

(2019) Yongfeng Qu et al.   APPLIED SURFACE SCIENCE

Zinc oxide nanoparticle incorporated graphene oxide as sensing coating for interferometric optical microfiber for ammonia gas detection

(2018) Haiwei Fu et al.   SENSORS AND ACTUATORS B-CHEMICAL

Tuning magnetism of monolayer GaN by vacancy and nonmagnetic chemical doping

(2016) Qian Zhao et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

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