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
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
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 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
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
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
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
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
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
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 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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
Cell refractive index: Models, insights, applications and future perspectives
March 01, 2021
Photodiagnosis and Photodynamic Therapy - Volume 33, Article Number 102096
Refractive index of biological tissues: Review, measurement techniques, and applications
March 01, 2021
Photodiagnosis and Photodynamic Therapy - Volume 33, Article Number 102192
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