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

[1]  Wenxue Zhang,et al.  "Capture-Backdonation-Recapture" Mechanism for Promoting N2 Reduction by Heteronuclear Metal-Free Double-Atom Catalysts. , 2022, Journal of the American Chemical Society.

[2]  Ming-Hsuan Yang,et al.  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, FlatChem.

[3]  Jijun Ding,et al.  The design of heterojunctions based on boron-/phosphorus-doped graphene and ZnO monolayer to enhance adsorption properties for toxic gases , 2022, Journal of Applied Physics.

[4]  Jijun Ding,et al.  Enhanced adsorption properties of ZnO/GaN heterojunction for CO and H2S under external electric field , 2021, Computational and Theoretical Chemistry.

[5]  Yun Liu,et al.  First-principles investigation upon H2 and C2H2 adsorptions on the Ag-decorated InN monolayer for gas sensor development , 2021, Computational and Theoretical Chemistry.

[6]  Wenxue Zhang,et al.  Novel Design Strategy of High Activity Electrocatalysts toward Nitrogen Reduction Reaction via Boron-Transition-Metal Hybrid Double-Atom Catalysts. , 2021, ACS applied materials & interfaces.

[7]  Fugen Wu,et al.  A first principles study of p-type doping in two dimensional GaN. , 2021, Physical chemistry chemical physics : PCCP.

[8]  C. Kan,et al.  Electronic and optical properties of two-dimensional GaN/ZnO heterojunction tuned by different stacking configurations. , 2021, Journal of colloid and interface science.

[9]  Wenxue Zhang,et al.  The InSe/g-CN van der Waals hybrid heterojunction as a photocatalyst for water splitting driven by visible light , 2021, Chinese Chemical Letters.

[10]  K. Shahzad,et al.  Influence of van der waals heterostructures of 2D materials on catalytic performance of ZnO and its applications in energy: A review , 2021, International Journal of Hydrogen Energy.

[11]  C. He,et al.  Spontaneous Enhanced Visible-Light-Driven Photocatalytic Water Splitting on Novel Type-II GaSe/CN and Ga2SSe/CN vdW Heterostructures. , 2021, The journal of physical chemistry letters.

[12]  Yun Liu,et al.  Pd-decorated GaN monolayer as a promising scavenger for SO2 and SOF2 in SF6 insulation equipment: A first-principles study , 2021, Computational and Theoretical Chemistry.

[13]  Chaohui He,et al.  Constructing a novel metal-free g-C3N4/g-CN vdW heterostructure with enhanced visible-light-driven photocatalytic activity for water splitting , 2021, Applied Surface Science.

[14]  Z. Xiong,et al.  Adsorption of C6H6 and C7H8 onto pristine and metal (Pd, Pt)-mediated ZnO monolayers: Electronic and gas sensing properties , 2021 .

[15]  Qu Zhou,et al.  Adsorption of SF6 decomposition gases (H2S, SO2, SOF2 and SO2F2) on Sc-doped MoS2 surface: A DFT study , 2021 .

[16]  Dongshan Wei,et al.  A first-principles study on the electronic and optical properties of a type-II C2N/g-ZnO van der Waals heterostructure. , 2021, Physical chemistry chemical physics : PCCP.

[17]  Jiaoxian Yu,et al.  Two-dimensional wide band-gap nitride semiconductor GaN and AlN materials：properties, fabrication and applications , 2021, Journal of Materials Chemistry C.

[18]  Yuxiang Qin,et al.  Effect of vacancy defects of SnS on gas adsorption and its potential for selective gas detection , 2021 .

[19]  E. Grzanka,et al.  DFT study on point defects migration through the pseudomorphic and lattice-matched InN/GaN interfaces , 2021 .

[20]  Adsorbed of toxic gas molecules (CO, H2S, and NO) on alkali-metal-doped g-GaN monolayer , 2020 .

[21]  H. Cui,et al.  Adsorption and sensing behaviors of SF6 decomposed species on Ni-doped C3N monolayer: A first-principles study , 2020 .

[22]  Jijun Ding,et al.  Adsorption of CO, NO, and NH3 on ZnO monolayer decorated with noble metal (Ag, Au) , 2020 .

[23]  Q. Hou,et al.  Built-in magnetic-electrical coupling enhances photocatalytic performance of GaN/ZnO: A first principle study , 2020 .

[24]  Wencheng Tang,et al.  Theoretical prediction of two-dimensional ZnO/GaN van der Waals heterostructure as a photocatalyst for water splitting , 2020, Chemical Physics.

[25]  Xiaohong Yan,et al.  Influence of length and interface structure on electron transport properties of graphene-MoS2 in-plane heterojunction , 2019 .

[26]  Wenxue Zhang,et al.  A novel porous C4N4 monolayer as a potential anchoring material for lithium–sulfur battery design , 2019, Journal of Materials Chemistry A.

[27]  Min Zhang,et al.  Zinc oxide nanoparticle incorporated graphene oxide as sensing coating for interferometric optical microfiber for ammonia gas detection , 2018 .

[28]  Z. Xiong,et al.  Tuning magnetism of monolayer GaN by vacancy and nonmagnetic chemical doping , 2016 .

[29]  S. Grimme,et al.  A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu. , 2010, The Journal of chemical physics.

[30]  B. Delley,et al.  DMol, a standard tool for density functional calculations: Review and advances , 1995 .

[31]  Parr,et al.  Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. , 1988, Physical review. B, Condensed matter.