Electronic, optical, mechanical, and thermoelectric properties correlations by alkali-metal cation substitution in double halide perovskites
November 01, 2026
Optics and Laser Technology - Volume 203, Part A, Article Number 115454
Exploring novel Ba2XBiO6 (X = Lu, Tb) double perovskites for energy harvesting: A first-principles study
June 15, 2026
Physica B: Condensed Matter - Volume 732, Article Number 418551
Multifunctional properties of novel Ba2XSbO6 (X = Er, Sm) double perovskites via first-principles calculations
June 01, 2026
Chemical Physics Letters - Volume 892, Article Number 142782
First-principles study of ALiZnS2 (A = Na, Rb) promising quaternary chalcogenides for energy harvesting
May 11, 2026
RSC Advances - Volume 16(28), Pages 25865-25880
Exploring the electronic, optical, and thermoelectric properties of novel CsLaMTe3 (M = Cd, Zn) materials for sustainable energy harvesting
March 01, 2026
Materials Research Bulletin - Volume 195, Article Number 113857
Halide double perovskites: Unveiling spin-polarized electronic, optical, and magnetic features for cutting-edge devices
January 15, 2026
Journal of Magnetism and Magnetic Materials - Volume:638, Article Number 173748
Modeling the electronic, optical, mechanical, and thermoelectric performance in TM-based ternary tellurides: First-principles investigation
January 01, 2026
International Journal of Modern Physics B - Volume:40, Issue:3, Article Number 2650021
First-principles study of CsHS and LiHS ternary materials for hydrogen storage and optoelectronic applications
December 08, 2025
International Journal of Hydrogen Energy - Volume:196, Article Number 152600
The Electronic, Optical, and Thermoelectric Nature of Cs2InAgX6 (X = Cl, F) Halide Perovskites: For Advanced Optoelectronic Applications
December 02, 2025
Luminescence - Volume:40, Issue:12, Article Number e70374
First principles study of multifunctional properties of Ga- and Tl-based quaternary materials for energy applications
December 02, 2025
RSC Advances - Volume 15, Pages 47464-47475
The optoelectronic and thermoelectric properties of PrTl2InX4 (X = Se, Te) chalcogenides: For energy harvesting applications
December 01, 2025
Inorganic Chemistry Communications - Volume 182, Part 1, Article Number 115406
Li-based ternary semiconductors: Probing electronic, mechanical, optical, and transport nature from first principles study
December 01, 2025
Micro and Nanostructures - Volume:208, Article Number: 208357
Substitutional impact of alkali metals on the electronic structure, optical, mechanical, and transport properties of novel ternary materials
December 01, 2025
Micro and Nanostructures - Volume:208, Article Number 208374
First-Principles Exploration of the Mechanical Flexibility and Multifunctional Properties of Aluminum- and Zinc-Based Chalcopyrites for Energy Applications
November 10, 2025
Luminescence - Volume:40, Issue:11, Article Number e70354
Electronic structure and multifunctional properties of novel GaChCl (Ch = Se, Te) ternary chalcohalides: Insights from first-principles calculations
November 01, 2025
Chemical Physics Letters - Volume:878, Article Number 142344
Exploring Al- and Ga-based quaternary materials: Toward next-gen UV protection and solar efficiency
November 01, 2025
Solid State Sciences - Volume:169, Article Number 108092
Exploring the impact of Sc and Y substitution on the physical properties of novel quaternary chalcogenides: A first-principles insight
October 16, 2025
Chemical Physics Letters - Volume:877, Article Number 142311
First principles calculation of optoelectronic, elastic, and thermoelectric properties of Ga2HgX4 (X = Se, Te) ternary chalcogenides
October 01, 2025
Chemical Physics Letters - Volume 876, Article Number 142233
Chalcogen-mediated band tuning, optoelectronic and transport properties of LaCuXO (X = Se, Te) Oxychalcogenides: First-principles study
October 01, 2025
Chemical Physics Letters - Volume: 878, Article Number: 142248
First principle study of the optoelectronic, and thermoelectric properties of novel direct band gap ternary chalcogenides
October 01, 2025
Physica B: Condensed Matter - Volume:714, Article Number 417528
Insight into novel ErMI (M = S, Se) chalcohalide materials for next-generation energy applications
September 22, 2025
RSC Advances - Volume:15, Issue: 41, Pages:34808-34820
Unveiling the optoelectronic and thermoelectric properties of YAgCh2 (Ch = Se, Te): First-principles study
September 01, 2025
Inorganic Chemistry Communications - Volume 179, Part 1, Article Number 114684
Unveiling the optoelectronic and thermoelectric properties of Cs2HgM (M = Se, Te) semiconductors for sustainable optoelectronic technologies
September 01, 2025
Inorganic Chemistry Communications - Volume 179, Part 2, Article Number 114837
The electronic structure, optical, and thermoelectric properties of novel Bi2PbCh4 (Ch = Se, Te) materials: insights from first-principles study
August 29, 2025
RSC Advances - Volume:15, Issue:37, Pages 30782-30792
Unveiling the potential of rare-earth XCuSeO (X = Dy, Sm) oxychalcogenides for high-performance UV shielding and photovoltaics
August 01, 2025
Journal of Solid State Chemistry - Volume 348, Article Number 125389
Systematic Exploration of Electronic, Optical, and Thermoelectric Properties of SrCuXF (X = S, Se) Materials: Employing First-Principles Calculations
July 23, 2025
Brazilian Journal of Physics - Volume:55, Article Number:224, Pages:15
Exploring the optoelectronic, elastic, and transport properties of XSbTe3 (X = Dy, Sm) for next-generation energy materials: A first-principles study
July 16, 2025
Chemical Physics Letters - Volume:871, Article Number 142123
Exploring the potential of TlInX2 (X = Se, Te) materials: First-principles investigation for the optoelectronic and thermoelectric applications
June 16, 2025
Chemical Physics Letters - Volume:869, Article Number 142069
A comparative DFT study of different structures of ZnTe: for optoelectronic and thermoelectric applications
May 12, 2025
RSC Advances - Volume:15, Issue:20, Pages 15550-15560
A computational study of novel CsYMSe3 (M = Cd, Zn) materials: for their potential optoelectronic and thermoelectric application
March 15, 2025
Modelling and Simulation in Materials Science and Engineering - Volume:33, Issue:2, Article Number 025005
First-Principles Study of Electronic Structure, Optical and Thermoelectric Properties of Quaternary Chalcogenides
March 12, 2025
Journal of Inorganic and Organometallic Polymers and Materials - Pages:13
Exploring the impact of chalcogen substitution in novel ternary chalcogenides: insight from first-principles investigation
March 12, 2025
Indian Journal of Physics - Pages 1-13
Investigating the electronic structure, elastic, optical, and thermoelectric nature of novel AsIrX (X = S, Se, Te) ternary chalcogenides
January 15, 2025
Physica B : Condensed Matter - Volume: 697, Article Number: 416696
Electronic Structure, Optical and Thermoelectric Properties of Novel Rb2XAgF6 (X = Ga and In) halide-based Perovskites
January 13, 2025
Journal of Inorganic and Organometallic Polymers and Materials - Pages: 13
Insight into the optoelectronic and thermoelectric properties of novel LaSeM (M = Cl, F) chalcohalide semiconductors: ab-initio study
December 27, 2024
Physica scripta - Volume: 100, Number: 1, Article Number:015999
The electronic, optical and transport properties of BaAgMF (M = Se, Te) quaternary chalcogenides: a systematic first-principles study
December 20, 2024
Physica scripta - Volume:100, Number:01, Article Number:015968
Ab initio study of multifunctional novel CsErZnM3(M = Se, Te) chalcogenides: potential materials for UV protection and energy harvesting
December 11, 2024
Physica scripta - Volume:100, Number:01, Article Number:015944
Exploring novel Zn2SeX (X=S, Te) ternary chalcogenide: Studying the effect of chalcogen substitution on optoelectronic, and thermoelectric performance
December 01, 2024
Chemical Physics Letters - Volume 856, Article Number 141626
First-principles study of novel CuAgX (X = S, se) semiconductors: Probing electronic, optical, thermodynamic, and thermoelectric properties
December 01, 2024
Materials Science in Semiconductor Processing - Volume 184 , Article Number 108810
Electronic, optical, and thermoelectric efficiency of novel Li-based ternary chalcogenides: First-principles study
November 16, 2024
Chemical Physics Letters - Volume 855, Article Number 141565
Investigation of optoelectronic and magnetic properties of novel Ba2UXO6 (X = Co, Mn) double perovskites: For ecological advance energy applications
November 15, 2024
Materials Science in Semiconductor Processing - Volume 183, Article Number 108747
Exploring the physical properties of novel ACu3S3 (A = Sc, Y) semiconductors via first-principles calculation
November 01, 2024
Materials Science in Semiconductor Processing - Volume 182 , Article Number 108696
The electronic structure, optical, and transport properties of novel SrScCu3M4 (M = Se, Te) semiconductors
October 28, 2024
Physica Scripta - Volume 99, Number 11, Article Number 115999
First-Principles study of the electronic Structure, Optical, and thermoelectric properties of novel WSeX (X=S, Te) Chalcogenides: For energy harvesting application
October 16, 2024
Chemical Physics Letters - Volume 853 , Article Number 141523
Insight into the optoelectronic, and thermoelectric properties for zinc-based TMCs: First principle-based study
October 15, 2024
Physica B : Condensed Matter - Volume 691, Article Number 416322
Exploring novel Na4XS (X = Se, Te) materials for UV protection and photovoltaic efficiency: First-principles approach
October 03, 2024
Chemical Physics Letters - Volume 856, Article Number 141670
Insights into the optoelectronic, thermodynamic, and thermoelectric properties of novel BaYCuX3 (X = Se, Te) semiconductors from first-principles investigation
October 01, 2024
Materials Science in Semiconductor Processing - Vol:181, Article Number:108627
First-Principles Study of Novel BaLnAgSe3 (Ln = Er, Gd) Active UV-reflecting Materials for Optoelectronic and Thermoelectric Applications
September 22, 2024
Journal of Inorganic and Organometallic Polymers and Materials - Pages 1-13
Exploring the optoelectronic and transport properties of novel ternary spinel semiconductors via first-principles calculation
September 16, 2024
Chemical Physics Letters - Volume 851, Article Number 141482
Investigating novel Mo2X3S (X = Se, Te) materials: probing the influence of chalcogen substitution on electronic, optical, and thermoelectric properties
September 06, 2024
PHYSICA SCRIPTA - Volume 99, Number 10, Article Number 105949
Spin-polarized electronic, optical, and transport properties of novel Cs2XMoBr6 (X=Na, Li) HDPs: First-principles study
September 01, 2024
Chemical Physics Letters - Volume 850, Article Number 141471
A systematic computational study of novel SrTrCu3Se4 (Tr = Al, Ga) direct band gap materials: Probing electronic, optical, and thermoelectric nature
September 01, 2024
Chemical Physics Letters - Volume 850 , Article Number 141479
First-principles study of electronic, optical, and thermoelectric properties of KMCuS3 (M = Th and Sm) quaternary chalcogenides
August 28, 2024
RSC Advances - Volume 14(37), Pages 27332-27342
Unveiling the electronic, optical, thermoelectric, and magnetic properties of novel Ba2GdMO6 (M = Pa, Ta) via DFT calculation
August 15, 2024
Journal of Magnetism and Magnetic Materials - Volume 604 , Article Number 172311
Probing the electronic structure, optical, and transport nature of lanthanide-based ternary materials: A First-principles perspective
July 16, 2024
Chemical Physics Letters - Vol:847, Article Number: 141366
Unveiling the physical properties of RbCu3MSe4 (M = Si, Ge) direct band gap semiconductors: A systematic first-principles study
July 01, 2024
Materials Science in Semiconductor Processing - Volume: 177, Article Number: 108353
Predictive modeling of novel GaAgX2 (X = S, Se) chalcogenides: First-principles study of electronic, optical, and thermoelectric properties
July 01, 2024
Chemical Physics Letters - Vol:846, Article Number: 141326
Exploring the electronic, optical, and thermoelectric features of BaXCu3Se4 (X = In, Tl) quaternary chalcogenides: first-principles study
June 07, 2024
Physica Scripta - Vol:99, Number:07, Article Number:075928
Insights into optoelectronic, thermodynamic, and thermoelectric properties of novel GePtCh (Ch = S, Se, Te) semiconductors: first-principles perspective
May 09, 2024
Physica Scripta - Volume:99, Issue:6, Article Number:065939, Pages:17
Exploring the electronic structure, optical and magnetic nature in Sr2UXO6 (X = Fe, & Ni) double perovskites: First-principles study
April 16, 2024
Chemical Physics Letters - Volume 841, Article Number 141168
Computational analysis of AlXSnSe4 (X = Ag and Cu) quaternary compounds: Uncovering first-principles insights into electronic structure, optical, and thermoelectric nature
April 16, 2024
Chemical Physics Letters - Volume:841, Article Number: 141198
The enhanced optoelectronic, and thermoelectric nature of novel KXCuS3 (X = Zr, Hf) semiconductors: An inclusive ab-initio study
April 01, 2024
Optik - Volume: 300, Article Number: 171660
First-principles investigation of InAgASe4 (A = Ge, Sn) quaternary chalcogenides: Unveiling electronic, optical, and thermoelectric features
March 16, 2024
Chemical Physics Letters - Vol:839, Article Number: 141133
Tailoring the optoelectronic, thermoelectric, and thermodynamic properties of rare-earth quaternary chalcogenides: An inclusive first-principles study
March 01, 2024
Materials Today Communications - Volume 38, Article Number 107848
First-principles study of the electronic structure, optical, thermodynamic, and thermoelectric nature in MgACu3Se4 (A = Sc, Y) semiconductors
February 01, 2024
Optical and Quantum Electronics - Volume 56, Article Number 609, Pages: 22
Insight into the electronic, optical, and transport properties of novel BaLaCuX3 (X = S, Se, and Te) quaternary chalcogenides
February 01, 2024
Journal of Solid State Chemistry - Volume 330, Article Number 124496
Cu-based novel transition-metals chalcogenides for advanced optoelectronic and thermoelectric devices: first-principles study
January 18, 2024
Physica Scripta - Volume: 99, Number: 02, Article Number:025954
Unveiling the electronic, optical, thermoelectric, and thermodynamic properties of novel SrXCu3Se4 (X = In, Tl) materials: A systematic DFT study
January 16, 2024
Chemical Physics Letters - Volume 835, Article Number 141012
First-principles study of electronic, optical, magnetic, and thermoelectric properties of novel Sr2UXO6 (X = Mn, Zn) double perovskites
January 16, 2024
Chemical Physics Letters - Volume 835, Article Number: 141019
Exploring the electronic, magnetic, and elastic properties of binary AB2 (A = Sc, Y, and La; B = Fe, Co, and Ni) intermetallics: First-principles study
December 01, 2023
Materials Science and Engineering B: Solid-State Materials for Advanced Technology - Volume 298, Article Number:116881
Unveiling the electronic structure and optical properties of two-dimensional TMDCs: first-principles study
December 01, 2023
Optical Materials Express - Volume 13, No. 12, Pages 3688-3702
First-principles study of the optoelectronic and thermoelectric properties of lead-free ASnI3 (A = K, Rb, and Cs) novel halide perovskites
November 15, 2023
Physica B : Condensed Matter - Physica B 669 (2023) 415316
Insight into the Optoelectronic Nature and Mechanical Stability of Binary Chalcogenides: A First-Principles Study
November 14, 2023
ChemElectroChem - Volume10, Issue22, Article Number:e202300368,
First-principles study of potassium-based novel chalcogenide materials for optoelectronic and thermoelectric devices
October 11, 2023
Physica scripta - Volume 98, Number 11, Article Number: 115927
The spin-polarized electronic and optical properties of novel Ba2TaXO6 (X = Co, Fe, In) for optoelectronic applications: An ab-initio study
October 01, 2023
Journal of Solid State Chemistry - Vol:326, Article Number: 124211
Exploring the electronic, optical, and thermoelectric properties of Ba2GeX4 (X = S, and Se) novel chalcogenides
October 01, 2023
Journal of Solid State Chemistry - 326 (2023) 124243
A first-principles study of the electronic, optical, and transport properties of novel transitionmetal dichalcogenides
September 21, 2023
Materials Advances - Volume 4, Pages 4204-4215
First-Principles Investigation of Novel Alkali-Based Lead-Free Halide Perovskites for Advanced Optoelectronic Applications
August 25, 2023
ACS Omega - Vol:8, Issue:36, Pages:32784–32793
Ab-initio study about the electronic structure, optical, and transport properties of novel AIn2O4 (A = Ca, Sr, and Na) materials
June 30, 2023
Modelling And Simulation In Materials Science And Engineering - Volume 31, Number: 06, Article Number:065006,
Exploring the electronic, optical, and thermometric properties of novel AlCuX2 (X = S, Se, Te) semiconductors: a first-principles study
April 29, 2023
Journal of materials science - Vol:58, Pages7362-7379
Investigating the Optoelectronic and Thermoelectric Properties of CdTe Systems in Different Phases: A First-Principles Study
April 13, 2023
ACS Omega - Vol: 8, No.16, Pages:14742-14751
The physical properties of RbAuX (X = S, Se, Te) novel chalcogenides for advanced optoelectronic applications: An ab-initio study
March 25, 2023
Computational Materials Science - Volume 221, Article Number 112098
First principle study of strain tunable electronic and optical properties of half-Heusler alloys XCoGe (X=V, Nb, Ta)
March 01, 2023
Journal of Solid State Chemistry - Volume 319, Article Number 123827
Enlightening the stability and optoelectronic properties of Ba2MLnSe5 (M = Ga, In; Ln = Y, Nd, Sm, Gd, Dy, Er) semiconductors: A first-principles study
March 01, 2023
Journal of Solid State Chemistry - Volume 319, Article Number 123767
Computational evaluation of novel barium zinc chalcogenides Ba2ZnCh3 (Ch = S, Se, Te) for advanced optoelectronic applications
February 07, 2023
Physical Chemistry Chemical Physics - Volume:25, Issue:5, Page:4035-4046
First-principles analysis of novel Mg-based group II-VI materials for advanced optoelectronics devices
February 01, 2023
Journal of Solid State Chemistry - Volume 318, Article Number 123726
First-principles calculations to investigate the optoelectronic, and thermoelectric nature of zinc based group II-VI direct band semiconductors
December 01, 2022
Optik - Volume 271, Article Number 170143
Characterization of extracellular vesicles by flow cytometry: Challenges and promises
October 01, 2022
Micron - Volume 161, Article Number 103341
Extraction of phytochemicals from date palm (Phoenix dactylifera L.) seeds by enzymatic hydrolysis
August 12, 2022
Journal of Food Processing and Preservation - Pages 1-9
Insight into the optoelectronic and thermoelectric nature of NaLiX (X = S, Se, Te) novel direct bandgap semiconductors: a first-principles study
July 29, 2022
Journal of Materials Chemistry C - Volume 10, Issue 33, Pages 12001-12011
Computational characterization of capacitive coupled HBr/Cl2/O2 plasma
July 03, 2022
Contributions to Plasma Physics - Volume 62, Article Number e202200015
First principles-based study about electronic, optical, and transport nature of novel A2ZnSe2 (A = K and Na) materials
July 01, 2022
Journal of Solid State Chemistry - Volume 311, Article Number 123107
Investigating the optoelectronic and thermoelectric nature of IrSbX (X = S, Se, and Te) TMC's semiconductors: By employing the accurate modified Becke-Johnson exchange potential
June 15, 2022
Materials Science in Semiconductor Processing - Volume144, Article Number 106577
Exploring the exemplary electronic and optical nature in NaInX2 (X ¼ S, Se and Te) ternary type chalcogenides materials: A GGAþU and hybrid functionals study
March 01, 2022
Journal of Solid State Chemistry - Volume 307, Article Number 122853
Tunable electronic and magnetic properties of single layer CdS via Li substitutional doping: A first-principle study
February 01, 2022
Journal of Physics and Chemistry of Solids - Volume 161, Article Number 110380
Insight into the electronic, optical and transport nature of Al2CdX4 (X = S, Se and Te) employing the accurate mBJ approach: Novel materials for opto-electronic devices
November 15, 2021
Materials Science in Semiconductor Processing - Volume 135, Article Number 106098
First principle study of Er, co-doped Fe and Yb of NaBiF6; a promising materials for optoelectronic and transport properties; probed by DFT
August 14, 2021
Digest Journal of Nanomaterials and Biostructures - Vol. 16, No. 3, July - September 2021, p. 823 - 830
Comparison of Mueller matrix differential decomposition and transformation
August 01, 2021
Biomedical Signal Processing and Control - Volume 69, Article Number 102815
Electronic band structure and optical characteristic of silver lanthanide XAgSe2 (X = Eu and Er) dichalcogenides: Insight from DFT computations
July 01, 2021
Inorganic Chemistry Communication - Volume 129, Article Number 108586
Isolating individual polarization effects from the Mueller matrix: comparison of two non-decomposition techniques
July 01, 2021
Biomedical Optics Express - Volume 12, Issue 7, Pages 3743-3759
Effect of Pb doping on electronic and thermoelectric properties of thallium antimony telluride (Tl8.33Sb1.67???? xPbxTe6) nano-compound: A combined experimental and theoretical investigations
May 01, 2021
Physica B: Condensed Matter - Volume 608, Article Number 412789
Comparative study of 3 x 3 Mueller matrix transformation and polar decomposition
April 15, 2021
Optics Communications - Volume 485, Article Number 126756
Numerical study of SF6/O2 plasma discharge for etching applications
March 27, 2021
Plasma Chemistry and Plasma Processing - Pages 1-16
Refractive index of biological tissues: Review, measurement techniques, and applications
March 01, 2021
Photodiagnosis and Photodynamic Therapy - Volume 33, Article Number 102192
Cell refractive index: Models, insights, applications and future perspectives
March 01, 2021
Photodiagnosis and Photodynamic Therapy - Volume 33, Article Number 102096
Ab-initio study about the electronic, optical and thermoelectric nature of α-, β-, and γ-phases of CdS semiconductor: using the accurate m-BJ approach
February 24, 2021
Physica Scripta - Volume 96, Number 5, Article Number 055803
Proposal of new spinel oxides semiconductors ZnGaO2, [ZnGaO2]:Mn3+ and Rh3+: ab-initio calculations and prospects for thermophysical and optoelectronic applications
December 01, 2020
Journal of Molecular Graphics and Modelling - Volume 101, Article Number 107750
Toward controlled thermoelectric properties of Pb and Sb co-doped nanostructured Thallium Telluride for energy applications
October 21, 2020
Materials Research Express - Volume 7, Article Number 105010
Numerical investigation of the e_x000b_ect of variation of gas mixture ratio on density distribution of etchant species (Br, Br+, Cl, Cl+, and H) in HBr/Cl2/Ar plasma discharge
June 11, 2020
European Physical Journal D - Volume 74, Article Number 113
DFT simulations of optoelectronic and elastic features of novel cubic Samarium Zirconate (Sm2Zr2O7) crystals
December 01, 2019
Computational Condensed Matter - Volume 21, Article Number e00414
First-Principles Description of the Different Phases in the Li2NH Compound: Electronic Structure and Optical Properties
June 26, 2019
Journal of the Korean Physical Society - Volume 74, No. 12, Pages 1140-1145
First-principles calculations of optoelectronic properties of CaO: Eu+2 (SrO: Eu+2) for energy applications
December 07, 2018
International Journal of Modern Physics B - Volume 32, No. 30, Article Number 1850333
Numerical Study of Capacitive Coupled HBr/Cl2 Plasma Discharge for Dry Etch Applications
September 16, 2016
Physics of Plasmas - Volume 23, Issue 9, Article Number 093508
Fluid Simulation of Capacitively Coupled HBr/Ar Plasma for Etching Applications
September 01, 2016
Plasma Chemistry and Plasma Processing - Volume 36, Pages 1363-1375
Numerical Study of HBr/He Discharges in Capacitive Coupled Plasma Reactor
May 01, 2016
Plasma Chemistry and Plasma Processing - Volume 36, Pages 857–868
A numerical study of the effect of various reactions, pressure and gas mixture ratio on the density distribution of etchant species (H, Br, Br1, and HBr1) in HBr/He plasma
April 26, 2016
Physics of Plasmas - Volume 23, Article Number 043506
A comparative study of capacitively coupled HBr/He, HBr/Ar plasmas for etching applications: numerical investigation by fluid model
October 29, 2015
Physics of Plasmas - Volume 22, Article Number 103520
Numerical investigation of HBr/He transformer coupled plasmas used for silicon etching,”
December 10, 2014
Journal of Physics D: Applied Physics - Volume 48, Number 2, Article Number 025202