Cargando…

The stability and electronic and photocatalytic properties of the ZnWO(4) (010) surface determined from first-principles and thermodynamic calculations

We present the results of the generalized-gradient approximation of Perdew, Burke and Ernzerhof (GGA-PBE) and the Heyd–Scuseria–Ernzerhof (HSE06) hybrid functional calculations of the atomic and the electronic structures of ZnWO(4) (010) surfaces. The total energies obtained from these calculations...

Descripción completa

Detalles Bibliográficos
Autores principales:	Wu, Yonggang, Zhang, Jihua, Long, Bingwei, Zhang, Hong
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2021
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9036558/ https://www.ncbi.nlm.nih.gov/pubmed/35479806 http://dx.doi.org/10.1039/d1ra03218f

Ejemplares similares

The Thermodynamic Stability, Electronic and Photocatalytic Properties of the ZnWO(4)(100) Surface as Predicted by Screened Hybrid Density Functional Theory
por: Wu, Yonggang, et al.
Publicado: (2021)

The chemistry of ZnWO(4) nanoparticle formation
por: Bøjesen, Espen D., et al.
Publicado: (2016)

Synthesis, Characterization, and Photocatalytic Evaluation of Manganese (III) Phthalocyanine Sensitized ZnWO(4) (ZnWO(4)MnPc) for Bisphenol A Degradation under UV Irradiation
por: Anucha, Chukwuka Bethel, et al.
Publicado: (2020)

Synthesis and Photocatalytic Properties of ZnWO(4) Nanocrystals via a Fast Microwave-Assisted Method
por: Yan, Jing, et al.
Publicado: (2013)

Defected ZnWO(4)-decorated WO(3) nanorod arrays for efficient photoelectrochemical water splitting
por: Cui, Ya, et al.
Publicado: (2019)

Eu(2+) and Eu(3+) Doubly Doped ZnWO(4) Nanoplates with Superior Photocatalytic Performance for Dye Degradation
por: Huang, Yuan Ming, et al.
Publicado: (2018)

Supported TiO(2)-ZnWO(4) Photocatalytic Nanofibrous Membranes for Flow-Through and Fixed-Bed Reactors
por: Subjalearndee, Nakarin, et al.
Publicado: (2023)

Fabrication of core/shell ZnWO(4)/carbon nanorods and their Li electroactivity
por: Shim, Hyun-Woo, et al.
Publicado: (2012)

ZnWO(4) Nanoparticle Scintillators for High Resolution X-ray Imaging
por: Jeong, Heon Yong, et al.
Publicado: (2020)

Influence of Accidental Impurities on the Spectroscopic and Luminescent Properties of ZnWO(4) Crystal
por: Subbotin, Kirill, et al.
Publicado: (2023)

Nanocrystalline CaWO(4) and ZnWO(4) Tungstates for Hybrid Organic–Inorganic X-ray Detectors
por: Pudza, Inga, et al.
Publicado: (2023)

A review on the applications of zinc tungstate (ZnWO(4)) photocatalyst for wastewater treatment
por: Abubakar, Hassana Ladio, et al.
Publicado: (2022)

Surface Decoration of ZnWO(4) Nanorods with Cu(2)O Nanoparticles to Build Heterostructure with Enhanced Photocatalysis
por: Tian, Lingyu, et al.
Publicado: (2018)

Intrinsic Defect Engineering in Eu(3+) Doped ZnWO(4) for Annealing Temperature Tunable Photoluminescence
por: Zhai, Bao-gai, et al.
Publicado: (2019)

Data on SEM and TEM of controllable construction of ZnWO(4) nanostructure with enhanced performance for photosensitized Cr(VI) reduction
por: He, Hongbo, et al.
Publicado: (2019)

A Transparent Nano-Polycrystalline ZnWO(4) Thin-Film Scintillator for High-Resolution X-ray Imaging
por: Jeong, Heon Yong, et al.
Publicado: (2021)

Highly efficient ultrasound-driven Cu-MOF/ZnWO(4) heterostructure: An efficient visible-light photocatalyst with robust stability for complete degradation of tetracycline
por: Jeyaprakash, Jenson Samraj, et al.
Publicado: (2023)

Fabrication of ZnWO(4)/Carbon Black Nanocomposites Modified Glassy Carbon Electrode for Enhanced Electrochemical Determination of Ciprofloxacin in Environmental Water Samples
por: Mariappan, Kiruthika, et al.
Publicado: (2023)

First-Principles Structural, Mechanical, and Thermodynamic Calculations of the Negative Thermal Expansion Compound Zr(2)(WO(4))(PO(4))(2)
por: Weck, Philippe F., et al.
Publicado: (2018)

Periodic density functional theory calculations of bulk and the (010) surface of goethite
por: Kubicki, James D, et al.
Publicado: (2008)

Electronic structure, elasticity, Debye temperature and anisotropy of cubic WO(3) from first-principles calculation
por: Liu, Xing, et al.
Publicado: (2018)

Hydrothermal Synthesis of the CuWO(4)/ZnO Composites with Enhanced Photocatalytic Performance
por: Chen, Caiying, et al.
Publicado: (2020)

Insight into the electronic and thermodynamic properties of NbSi(2) from first-principles calculations
por: Wang, Shuanglun, et al.
Publicado: (2018)

First Principles Calculation for Photocatalytic Activity of GaAs Monolayer
por: Rouzhahong, Yilimiranmu, et al.
Publicado: (2020)

Photochromic and Photocatalytic Properties of Ultra-Small PVP-Stabilized WO(3) Nanoparticles
por: Kozlov, Daniil A., et al.
Publicado: (2019)

First principles calculations of the thermodynamic stability of Ba, Zr, and O vacancies in BaZrO(3)
por: Raja, N., et al.
Publicado: (2019)

A first-principles calculation of structural, mechanical, thermodynamic and electronic properties of binary Ni–Y compounds
por: Zhou, YunXuan, et al.
Publicado: (2018)

Photocatalytic Removal of Microcystin-LR by Advanced WO(3)-Based Nanoparticles under Simulated Solar Light
por: Zhao, Chao, et al.
Publicado: (2015)

Acetone and Toluene Gas Sensing by WO(3): Focusing on the Selectivity from First Principle Calculations
por: Trioni, Mario Italo, et al.
Publicado: (2022)

First-Principles Calculations of the Electronic Structure and Optical Properties of Yttrium-Doped ZnO Monolayer with Vacancy
por: Wu, Qian, et al.
Publicado: (2020)

Combined first-principles calculations and experimental study on the photocatalytic mechanism of natural dolomite
por: Hou, Xiaomin, et al.
Publicado: (2021)

Nano-Structuration of WO(3) Nanoleaves by Localized Hydrolysis of an Organometallic Zn Precursor: Application to Photocatalytic NO(2) Abatement
por: Castello Lux, Kevin, et al.
Publicado: (2022)

Anharmonic Effects on the Thermodynamic Properties of Quartz from First Principles Calculations
por: Murri, Mara, et al.
Publicado: (2021)

First-principles calculations of mechanical and thermodynamic properties of tetragonal Be(12)Ti
por: Liu, Xiankun, et al.
Publicado: (2019)

Photocatalytic Properties of [Formula: see text] Heterostructure: First-Principles Calculations
por: Al-Shami, Ahmed, et al.
Publicado: (2023)

First-principles study on the electronic and optical properties of Bi(2)WO(6)
por: Ahmad, Haseeb, et al.
Publicado: (2021)

Photocatalytic primary alcohol oxidation on WO(3) nanoplatelets
por: McDonald, Kori D., et al.
Publicado: (2019)

Cu-Doped ZnO Electronic Structure and Optical Properties Studied by First-Principles Calculations and Experiments
por: Ma, Zhanhong, et al.
Publicado: (2019)

Dataset on the structure and thermodynamic and dynamic stability of Mo(2)ScAlC(2) from experiments and first-principles calculations
por: Dahlqvist, Martin, et al.
Publicado: (2016)

Principles of thermodynamics
por: Ansermet, Jean-Philippe, et al.
Publicado: (2019)

Cannot write session to /tmp/vufind_sessions/sess_o3rg7dg8sme4hpdkl7g2qam1bl