Cargando…

Investigating the Physical Properties of Thallium-Based Ternary TlXF(3) (X = Be, Sr) Fluoroperovskite Compounds for Prospective Applications

[Image: see text] In the present work, several properties of fluoroperovskites are computed and examined through the approximations of trans- and blaha-modified Becke–Johnson (TB-mBJ) and generalized gradient approximation of Perdew–Burke–Ernzerhof (GGA-PBE) integrated within density functional theo...

Descripción completa

Detalles Bibliográficos
Autores principales:	Ayub, Gohar, Rauf, Abdur, Husain, Mudasser, Algahtani, Ali, Tirth, Vineet, Al-Mughanam, Tawfiq, Alghtani, Abdulaziz H., Sfina, Nourreddine, Rahman, Nasir, Sohail, Mohammad, Khan, Rajwali, Azzouz-Rached, Ahmed, Khan, Aurangzeb, Al-Shaalan, Nora Hamad, Alharthi, Sarah, Alharthy, Saif A., Amin, Mohammed A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2023
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10210186/ https://www.ncbi.nlm.nih.gov/pubmed/37251136 http://dx.doi.org/10.1021/acsomega.3c00549

Ejemplares similares

Appealing perspectives of the structural, electronic, elastic and optical properties of LiRCl(3) (R = Be and Mg) halide perovskites: a DFT study
por: Rahman, Nasir, et al.
Publicado: (2023)

Correction: Appealing perspectives of the structural, electronic, elastic and optical properties of LiRCl(3) (R = Be and Mg) halide perovskites: a DFT study
por: Rahman, Nasir, et al.
Publicado: (2023)

First-principal investigations of electronic, structural, elastic and optical properties of the fluoroperovskite TlLF(3) (L = Ca, Cd) compounds for optoelectronic applications
por: Sohail, Mohammad, et al.
Publicado: (2022)

Probing the physical properties of M(2)LiCeF(6) (M = Rb and Cs) double perovskite compounds for prospective high-energy applications employing the DFT framework
por: Rahman, Nasir, et al.
Publicado: (2023)

Insight into the Structural, Electronic, Elastic, Optical, and Magnetic Properties of Cubic Fluoroperovskites ABF(3) (A = Tl, B = Nb, V) Compounds: Probed by DFT
por: Shah, Saima Ahmad, et al.
Publicado: (2022)

Probing the physical properties for prospective high energy applications of QMnF(3) (Q = Ga, In) halide perovskites compounds employing the framework of density functional theory
por: Tahir, Fareesa Tasneem, et al.
Publicado: (2023)

Computational Study of Elastic, Structural, Electronic, and Optical Properties of GaMF(3) (M = Be and Ge) Fluoroperovskites, Based on Density Functional Theory
por: Khan, Hukam, et al.
Publicado: (2022)

First-principles calculations to investigate physical properties of orthorhombic perovskite YBO(3) (B = Ti & Fe) for high energy applications
por: Rached, Ahmed Azzouz, et al.
Publicado: (2023)

Application of ZnO-NRs@Ni-foam substrate for electrochemical fingerprint of arsenic detection in water
por: Rauf, Muhammad, et al.
Publicado: (2023)

Theoretical Investigations into the Different Properties of Al-Based Fluoroperovskite AlMF(3) (M = Cr, B) Compounds by the TB-MBJ Potential Method
por: Khan, Hukam, et al.
Publicado: (2022)

A Computational First Principle Examination of the Elastic, Optical, Structural and Electronic Properties of AlRF(3) (R = N, P) Fluoroperovskites Compounds
por: Pasha, Amjad Ali, et al.
Publicado: (2023)

Investigation of the structural, electronic, mechanical, and optical properties of NaXCl(3) (X = Be, Mg) using density functional theory
por: Jehan, Aiman, et al.
Publicado: (2023)

Insight into the Exemplary Physical Properties of Zn-Based Fluoroperovskite Compounds XZnF(3) (X = Al, Cs, Ga, In) Employing Accurate GGA Approach: A First-Principles Study
por: Habib, Anwar, et al.
Publicado: (2022)

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)

Room-Temperature Ferromagnetism in Mn-Doped ZnO Nanoparticles Synthesized by the Sol–Gel Method
por: Kanwal, Sidra, et al.
Publicado: (2023)

Investigation of conduction mechanism and UV light response of vertically grown ZnO nanorods on an interdigitated electrode substrate
por: Hayat, Khizar, et al.
Publicado: (2023)

Room temperature ferroelectricity in fluoroperovskite thin films
por: Yang, Ming, et al.
Publicado: (2017)

Structural, electronic, magnetic and elastic properties of xenon-based fluoroperovskites XeMF(3) (M = Ti, V, Zr, Nb) via DFT studies
por: Abdullah,, et al.
Publicado: (2022)

Comparative Study of Chemically Treated Sugarcane and Kevlar Fiber to Develop Brake Resistance Composites
por: Mehta, Vikas, et al.
Publicado: (2023)

First-principle insight into the structural, electronic, elastic and optical properties of Cs-based double perovskites Cs(2)XCrCl(6) (X = K, Na)
por: Al-Humaidi, Jehan Y., et al.
Publicado: (2023)

Thallium(I) copper(I) thorium(IV) triselenide, TlCuThSe(3)
por: Koscielski, Lukasz A., et al.
Publicado: (2012)

First-principle computation of some physical properties of half-Heusler compounds for possible thermoelectric applications
por: Husain, Mudasser, et al.
Publicado: (2023)

Optimization of Single α-Phase for Promoting Ferromagnetic Properties of 44Fe–28Cr–22Co–3Mo–1Ti–2V Permanent Magnet with Varying Co Concentration for Energy Storage
por: Khan, Inam Ullah, et al.
Publicado: (2022)

Detail computational study about the structural, electronic, optical, and mechanical properties of RbVX(3) (Cl, Br, I) halide perovskite materials
por: Khan, Naimat Ullah, et al.
Publicado: (2023)

Examining computationally the structural, elastic, optical, and electronic properties of CaQCl(3) (Q = Li and K) chloroperovskites using DFT framework
por: Husain, Mudasser, et al.
Publicado: (2022)

Electrical and Optical Properties of Indium and Lead Co-Doped Cd(0.9)Zn(0.1)Te
por: Zaman, Yasir, et al.
Publicado: (2021)

Application of new multiloop QCD input to the analysis of $xF_3$ data
por: Kataev, A.L., et al.
Publicado: (2000)

Influence of Zirconium (Zr(4+)) Substitution on the Crystal Structure and Optical and Dielectric Properties of Sr(0.8)Mg(0.2)(Sn(1–x)Zr(x))O(3) Ceramics
por: Anas, Muhammad, et al.
Publicado: (2023)

Thallium in the environment
Publicado: (1998)

Impact of Cobalt Doping on the Structural, Optical, and Dielectric Properties of MgAl(2)O(4) Spinel Material
por: Ullah, Kamran, et al.
Publicado: (2023)

Enhancement of the Optical and Dielectric Properties at Low Frequency of (Sr(1−x)Ca(x))(5)Ti(4)O(13), (0 ≤ x ≤ 0.06) Structure Ceramics
por: Ahmed, Sara J., et al.
Publicado: (2022)

Extracting the strange density from xF$_{3}$
por: Barone, V, et al.
Publicado: (1995)

Direct speciation analysis of thallium based on solid phase extraction and specific retention of a Tl(III) complex on alumina coated with sodium dodecyl sulfate
por: Biaduń, Ewa, et al.
Publicado: (2015)

Thymus-leukemia (TL) antigens of the mouse. Analysis of TL mRNA and TL cDNA TL+ and TL- strains
Publicado: (1985)

Calculation of ATP production rates using the Seahorse XF Analyzer
por: Desousa, Brandon R, et al.
Publicado: (2023)

Publicly available datasets on thallium (Tl) in the environment—a comment on “Presence of thallium in the environment: sources of contaminations, distribution and monitoring methods” by Bozena Karbowska, Environ Monit Assess (2016) 188:640 (DOI 10.1007/s10661-016-5647-y)
por: de Caritat, Patrice, et al.
Publicado: (2017)

Large low field magnetocaloric effect in first-order phase transition compound TlFe(3)Te(3) with low-level hysteresis
por: Mao, Qianhui, et al.
Publicado: (2016)

Correction: Insight into the exemplary structural, elastic, electronic and optical nature of GaBeCl(3) and InBeCl(3): a DFT study
por: Shah, Saima Ahmad, et al.
Publicado: (2022)

Insight into the exemplary structural, elastic, electronic and optical nature of GaBeCl(3) and InBeCl(3): a DFT study
por: Shah, Saima Ahmad, et al.
Publicado: (2022)

Study of the Role of Titanium and Iron Cathodic Cages on Plasma-Nitrided AISI 430 Ferritic Stainless Steel
por: Babur, Mirza Z., et al.
Publicado: (2022)

Cannot write session to /tmp/vufind_sessions/sess_qjhvpt2l5f45lh0m2q92r44nsp