Cargando…

Physical, optoelectronic and thermoelectric characteristics of double perovskite (Sr(2)ScBiO(6)) for green energy technology using ab initio computations

This work presents the investigation of physical characteristics including structural, electronic, elastic, optical and thermoelectric, of the double perovskite (DP) oxide Sr(2)ScBiO(6) with the aid of the FP-LAPW method, dependent on DFT combined with BoltzTraP code. To incorporate the inclusion of...

Descripción completa

Detalles Bibliográficos
Autores principales:	Singh, Sushil Kumar, Abraham, Jisha Annie, Alofi, Ayman S., Srivastava, Anshuman, Meena, K. L., Alshahrani, B., Sharma, Ramesh, Moayad, A. J. A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2023
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10694791/ http://dx.doi.org/10.1039/d3ra05397k

Ejemplares similares

Towards lead-free perovskite photovoltaics and optoelectronics by ab-initio simulations
por: Roknuzzaman, Md, et al.
Publicado: (2017)

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

Investigation of Structural, Mechanical, Optoelectronic, and Thermoelectric Properties of BaXF(3) (X = Co, Ir) Fluoro-Perovskites: Promising Materials for Optoelectronic and Thermoelectric Applications
por: Khattak, Shaukat Ali, et al.
Publicado: (2023)

Metallo-dithiaporphyrin pigments for bulk-heterojunction solar cell applications: ab initio investigation of structural and optoelectronic properties
por: Yassine Doggui, Mohamed, et al.
Publicado: (2023)

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

Stability of Tin- versus Lead-Halide Perovskites: Ab Initio Molecular Dynamics Simulations of Perovskite/Water Interfaces
por: Kaiser, Waldemar, et al.
Publicado: (2022)

Hydrogen Bonds in Lead Halide Perovskites: Insights from Ab Initio Molecular Dynamics
por: Garrote-Márquez, Alejandro, et al.
Publicado: (2023)

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

Theoretical insights into the structural, optoelectronic, thermoelectric, and thermodynamic behavior of novel quaternary LiZrCoX (X = Ge, Sn) compounds based on first-principles study
por: Kumari, Meena, et al.
Publicado: (2023)

Pressure-driven thermoelectric properties of defect chalcopyrite structured ZnGa(2)Te(4): ab initio study
por: Govindaraj, Prakash, et al.
Publicado: (2022)

Ab initio study of alloying of MnBi to enhance the energy product
por: Paudel, Tula R., et al.
Publicado: (2021)

An Experiment on Ab Initio Discovery of Biological Knowledge from scRNA-Seq Data Using Machine Learning
por: Shah, Najeebullah, et al.
Publicado: (2020)

Fully Ab-Initio Determination of the Thermoelectric Properties of Half-Heusler NiTiSn: Crucial Role of Interstitial Ni Defects
por: Berche, Alexandre, et al.
Publicado: (2018)

Tailoring the intrinsic magneto-electronic, mechanical, thermo-physical and thermoelectric response of cobalt-based Heusler alloys: an ab initio insight
por: Gurunani, Bharti, et al.
Publicado: (2023)

Accurate ab Initio Spin Densities
por: Boguslawski, Katharina, et al.
Publicado: (2012)

Discovering chemistry with an ab initio nanoreactor
por: Wang, Lee-Ping, et al.
Publicado: (2014)

Interfacial Coupling Effect on Electron Transport in MoS(2)/SrTiO(3) Heterostructure: An Ab-initio Study
por: Bano, Amreen, et al.
Publicado: (2018)

Excited Electronic States of Sr(2): Ab Initio Predictions and Experimental Observation of the 2(1)Σ(u)(+) State
por: Szczepkowski, Jacek, et al.
Publicado: (2023)

Structure, dynamics and stability of water/scCO(2)/mineral interfaces from ab initio molecular dynamics simulations
por: Lee, Mal-Soon, et al.
Publicado: (2015)

Predicting the Lattice Thermal Conductivity in Nitride Perovskite LaWN(3) from ab initio Lattice Dynamics
por: Tong, Zhen, et al.
Publicado: (2023)

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)

AUGUSTUS: ab initio prediction of alternative transcripts
por: Stanke, Mario, et al.
Publicado: (2006)

Ab initio gene identification in metagenomic sequences
por: Zhu, Wenhan, et al.
Publicado: (2010)

Germacrene D Cyclization: An Ab Initio Investigation
por: Setzer, William N.
Publicado: (2008)

Ab initio calculations of light ion reactions
por: Navrátil, P, et al.
Publicado: (2012)

AIDA: ab initio domain assembly server
por: Xu, Dong, et al.
Publicado: (2014)

Ab initio structure determination of n-diamond
por: Li, Da, et al.
Publicado: (2015)

An ab initio study of the polytypism in InP
por: Dacal, Luis C. O., et al.
Publicado: (2016)

Progress in AB Initio Protein Structure Prediction
por: Baker, David
Publicado: (2002)

Ab initio nonrigid X-ray nanotomography
por: Odstrcil, Michal, et al.
Publicado: (2019)

Accurate Ab Initio Calculation of Molecular Constants
por: Kotochigova, S., et al.
Publicado: (1998)

Ab initio phase diagram and nucleation of gallium
por: Niu, Haiyang, et al.
Publicado: (2020)

Dialogue on analytical and ab initio methods in attoscience
por: Armstrong, Gregory S. J., et al.
Publicado: (2021)

Ab Initio Theory of Photoemission from Graphene
por: Krasovskii, Eugene
Publicado: (2021)

Ab Initio Rovibrational Spectroscopy of the Acetylide Anion
por: Schröder, Benjamin
Publicado: (2023)

Enhancement of optoelectronic properties of layered MgIn[Formula: see text] Se[Formula: see text] compound under uniaxial strain, an ab initio study
por: Rerbal, Benali, et al.
Publicado: (2021)

Ab-initio study of pressure influenced elastic, mechanical and optoelectronic properties of Cd(0.25)Zn(0.75)Se alloy for space photovoltaics
por: Iqbal, Muhammad Aamir, et al.
Publicado: (2022)

Ab initio calculations of conduction band effective mass parameters of thermoelectric [Formula: see text] (X, Y = Si, Ge, Sn) alloys
por: Guerra, Juan M., et al.
Publicado: (2020)

An ab initio investigation of the structural, mechanical, electronic, optical, and thermoelectric characteristics of novel double perovskite halides Cs(2)CaSnX(6) (X = Cl, Br, I) for optically influenced RRAM devices
por: Kiran, Saira, et al.
Publicado: (2023)

An ab initio DFT perspective on experimentally synthesized CuBi(2)O(4)
por: Hossain, Quazi Shafayat, et al.
Publicado: (2023)

Cannot write session to /tmp/vufind_sessions/sess_8vmak9umk3nhaoqhime9180vec