Cargando…

Pressure-driven thermoelectric properties of defect chalcopyrite structured ZnGa(2)Te(4): ab initio study

The pressure induced structural, electronic, transport, and lattice dynamical properties of ZnGa(2)Te(4) were investigated with the combination of density functional theory, Boltzmann transport theory and a modified Debye–Callaway model. The structural transition from I4̄ to I4̄2m occurs at 12.09 GP...

Descripción completa

Detalles Bibliográficos
Autores principales:	Govindaraj, Prakash, Sivasamy, Mugundhan, Murugan, Kowsalya, Venugopal, Kathirvel, Veluswamy, Pandiyarasan
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2022
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9040737/ https://www.ncbi.nlm.nih.gov/pubmed/35480360 http://dx.doi.org/10.1039/d2ra00805j

Ejemplares similares

Preparation of ZnGa(2)O(4) nanoflowers and their full-color luminescence properties
por: Liu, Yan, et al.
Publicado: (2023)

Chalcopyrite Nanoparticles as a Sustainable Thermoelectric Material
por: Singh, Maninder, et al.
Publicado: (2015)

Prediction for electronic, vibrational and thermoelectric properties of chalcopyrite AgX(X=In,Ga)Te(2): PBE + U approach
por: Yang, Jianhui, et al.
Publicado: (2017)

Deep-Ultraviolet Photodetectors Based on Epitaxial ZnGa(2)O(4) Thin Films
por: Tsai, Si-Han, et al.
Publicado: (2018)

Synthesis and characterization of a ZnGa(2)O(4):Cr(3+)-based aerogel
por: Zhang, Ting, et al.
Publicado: (2019)

ab initio Energetics and Thermoelectric Profiles of Gallium Pnictide Polytypes
por: Gajaria, Trupti K., et al.
Publicado: (2019)

Synthesis of ZnGa(2)O(4) Hierarchical Nanostructure by Au Catalysts Induced Thermal Evaporation
por: Chen, XiaoMeng, et al.
Publicado: (2010)

Afterglow, TL and OSL properties of Mn(2+)-doped ZnGa(2)O(4) phosphor
por: Luchechko, Andriy, et al.
Publicado: (2019)

Controlled Hydrothermal Synthesis and Photoluminescence of Nanocrystalline ZnGa(2)O(4):Cr(3+) Monospheres
por: Luan, Tian, et al.
Publicado: (2017)

The Effect of Annealing Ambience on the Material and Photodetector Characteristics of Sputtered ZnGa(2)O(4) Films
por: Singh, Anoop Kumar, et al.
Publicado: (2021)

Structure Effect on the Response of ZnGa(2)O(4) Gas Sensor for Nitric Oxide Applications
por: Horng, Ray-Hua, et al.
Publicado: (2022)

Ab Initio Study of Carrier Mobility, Thermodynamic and Thermoelectric Properties of Kesterite Cu(2)ZnGeS(4)
por: Hamdaoui, Jawad El, et al.
Publicado: (2022)

NO gas sensor based on ZnGa(2)O(4) epilayer grown by metalorganic chemical vapor deposition
por: Wu, Min-Ru, et al.
Publicado: (2019)

Luminescence properties of ZnGa(2)O(4):Cr(3+),Bi(3+) nanophosphors for thermometry applications
por: Glais, E., et al.
Publicado: (2018)

Tin-Substituted Chalcopyrite: An n-Type Sulfide with Enhanced Thermoelectric Performance
por: Tippireddy, Sahil, et al.
Publicado: (2022)

Fabrication and characterization of ZnGa(1.01)Te(2.13)/g-C(3)N(4) heterojunction with enhanced photocatalytic activity
por: Chen, Chiing-Chang, et al.
Publicado: (2023)

Formation Energies of Antiphase Boundaries in GaAs and GaP: An ab Initio Study
por: Rubel, Oleg, et al.
Publicado: (2009)

A Comparative Study of Electronic, Optical, and Thermoelectric Properties of Zn-Doped Bulk and Monolayer SnSe Using Ab Initio Calculations
por: Al Bouzieh, Najwa, et al.
Publicado: (2023)

The Assessment for Sensitivity of a NO(2) Gas Sensor with ZnGa(2)O(4)/ZnO Core-Shell Nanowires—a Novel Approach
por: Chen, I-Cherng, et al.
Publicado: (2010)

Fabrication and characterization of the ternary composite catalyst system of ZnGA/RET/DMC for the terpolymerization of CO(2), propylene oxide and trimellitic anhydride
por: Liu, Ningzhang, et al.
Publicado: (2021)

Experimental measurement of local high temperature at the surface of gold nanorods using doped ZnGa(2)O(4) as a nanothermometer
por: Glais, Estelle, et al.
Publicado: (2021)

Ga and Zn increase the oxygen affinity of Cu-based catalysts for the CO(x) hydrogenation according to ab initio atomistic thermodynamics
por: Müller, Andreas, et al.
Publicado: (2022)

Negative thermal expansion and electronic structure variation of chalcopyrite type LiGaTe(2)
por: Atuchin, V. V., et al.
Publicado: (2018)

Dynamics Studies of Nitrogen Interstitial in GaN from Ab Initio Calculations
por: He, Huan, et al.
Publicado: (2020)

Nitrogen Dissolution in Liquid Ga and Fe: Comprehensive Ab Initio Analysis, Relevance for Crystallization of GaN
por: Piechota, Jacek, et al.
Publicado: (2021)

AB-INITIO study of electronic, mechanical, optical and thermoelectric properties of KGeCl(3) for photovoltaic application
por: Sarhani, Mohammed ElSaid, et al.
Publicado: (2023)

Enhanced thermoelectric properties of Zn-doped GaSb nanocomposites
por: Fu, Qiang, et al.
Publicado: (2020)

Polarization Doping in a GaN-InN System—Ab Initio Simulation
por: Ahmad, Ashfaq, et al.
Publicado: (2023)

In Vivo Repeatedly Charging Near‐Infrared‐Emitting Mesoporous SiO(2)/ZnGa(2)O(4):Cr(3+) Persistent Luminescence Nanocomposites
por: Li, Zhanjun, et al.
Publicado: (2015)

Imparting CO(2) reduction selectivity to ZnGa(2)O(4) photocatalysts by crystallization from hetero nano assembly of amorphous-like metal hydroxides
por: Takemoto, Masanori, et al.
Publicado: (2020)

Enhanced photocatalytic activity of a flower-like In(2)O(3)/ZnGa(2)O(4):Cr heterojunction composite with long persisting luminescence
por: Tuerdi, Ailijiang, et al.
Publicado: (2022)

ZnGa(2−x)Al(x)O(4) (x = 0 ≤ 2) spinel for persistent light emission and HER/OER bi-functional catalysis
por: Parayil, Reshmi Thekke, et al.
Publicado: (2023)

Si doped T6 carbon structure as an anode material for Li-ion batteries: An ab initio study
por: Rajkamal, A., et al.
Publicado: (2016)

Ternary chalcopyrite semiconductors
por: Shay, J L, et al.
Publicado: (2013)

Wide-Gap Chalcopyrites
por: Siebentritt, Susanne, et al.
Publicado: (2006)

Ab initio investigation of CaO-ZnO alloys under high pressure
por: Sha, Xiaojing, et al.
Publicado: (2015)

Study of Interatomic Potentials in ZnS—Crystal-GRID Experiments Versus Ab Initio Calculations
por: Koch, Timo, et al.
Publicado: (2000)

NIR light guided enhanced photoluminescence and temperature sensing in Ho(3+)/Yb(3+)/Bi(3+) co-doped ZnGa(2)O(4) phosphor
por: Monika, et al.
Publicado: (2021)

Band Alignment of the CuGaS(2) Chalcopyrite Interfaces Studied by First-Principles Calculations
por: Castellanos-Águila, Jesús Eduardo, et al.
Publicado: (2020)

Exploration of Wedelia chinensis leaf-assisted silver nanoparticles for antioxidant, antibacterial and in vitro cytotoxic applications
por: Das, Merina Paul, et al.
Publicado: (2017)

Cannot write session to /tmp/vufind_sessions/sess_6uadhpt1ur4q3kb0i43hvm1ddl