Publicacións (136) Publicacións de Muhammad Irfan

2024

  1. A DFT Study of Bandgap Engineering and Tuning of Structural, Electronic, Optical, Mechanical and Transport Properties of Novel [Ba4Sb4Se11]: Sr3+ Selenoantimonate for Optoelectronic and Energy Exploitations

    Journal of Inorganic and Organometallic Polymers and Materials

  2. Cyperus scariosus extract based greenly synthesized gold nanoparticles as colorimetric nanoprobe for Ni2+ detection and as antibacterial and photocatalytic agent

    Journal of Molecular Liquids, Vol. 393

  3. DFT exploration of elastic, optoelectronic, and thermoelectric properties of stable and eco-friendly double perovskites Cs2YAuX6 (X=Cl, Br) for green energy applications

    Journal of Physics and Chemistry of Solids, Vol. 188

  4. Density-functional Quantum Analysis of Thermodynamic Properties of ThSixP1-x Alloys for Interface Thermal Performance and Energy Applications

    Silicon, Vol. 16, Núm. 4, pp. 1635-1646

  5. Fe and Rh Doping Nanoarchitectonics on Properties of Sr2YGaX2O7 Pyrochlore Oxides with a DFT-Based Spin-Polarized Calculation for Optoelectronic and Thermoelectric Applications

    Journal of Inorganic and Organometallic Polymers and Materials, Vol. 34, Núm. 3, pp. 952-968

  6. First-principles study of electronic, optical, magnetic, and thermoelectric properties of novel Sr2UXO6 (X = Mn, Zn) double perovskites

    Chemical Physics Letters, Vol. 835

  7. Investigating the novel thermoelectric properties of magnesium, calcium, and barium divanadate oxides (XV2O6 where X = Mg, Ca, and Ba) for waste heat recovery applications in energy harvesting devices

    Applied Physics A: Materials Science and Processing, Vol. 130, Núm. 1

  8. Recent developments, advances and strategies in heterogeneous photocatalysts for water splitting

    Nanoscale Advances, Vol. 6, Núm. 5, pp. 1286-1330

  9. Structural, electronic, magnetic, and optical properties of RE2ZrZnO6 (RE= La, Dy and Ho) double perovskites: experimental and DFT studies

    Physica Scripta, Vol. 99, Núm. 4

  10. Structural, morphological, elastic, optoelectronic and thermoelectric properties of lead-free double perovskite Na2AgBiBr6 for photovoltaic applications: Experimental and DFT insight

    Ceramics International, Vol. 50, Núm. 9, pp. 15261-15272

  11. Sunlight-assisted green synthesis of gold nanocubes using horsetail leaf extract: A highly selective colorimetric sensor for Pb2+, photocatalytic and antimicrobial agent

    Journal of Environmental Chemical Engineering, Vol. 12, Núm. 3

  12. Synthesis of hydroxyethylcellulose phthalate-modified silver nanoparticles and their multifunctional applications as an efficient antibacterial, photocatalytic and mercury-selective sensing agent

    International Journal of Biological Macromolecules, Vol. 256

  13. The electronic structure, electronic charge density, optical and thermoelectric properties of Mo and Rh based triple perovskite semiconductors Ba3CaNb2O9 for low-cost energy technologies

    Optical and Quantum Electronics, Vol. 56, Núm. 3

  14. The optoelectronic, elastic and magnetic properties of Iron and Rhodium doped NbTu2S4 Sulvanite semiconductors: promising candidates for next-generation energy harvesting devices

    Optical and Quantum Electronics, Vol. 56, Núm. 5

  15. The structural, mechanical, phonon and pressure induced thermodynamic properties of X4Mg4H12 (X = Rb and Cs) for hydrogen storage applications via PBE-GGA and TB-mBJ potentials

    Materials Science and Engineering: B, Vol. 300

  16. Tuning the Fermi surface of PrSb to enhance the interplay between superconductivity and magnetism by Sn substitution

    Vacuum, Vol. 219

2023

  1. Ab Initio Investigations of Optoelectronic and Transport Behavior of Mn and Eu‐Doped ZnxAxSiGeN4 Using GGA + U Functional: A Study for Optoelectronic Devices

    Journal of Inorganic and Organometallic Polymers and Materials

  2. Bandgap engineering and tuning of electronic and optical properties of 3D Cu3Se2 by Zn doping and dimension reduction: Density-functional quantum computations for optoelectronic and photovoltaic applications

    Materials Science and Engineering: B, Vol. 292

  3. Biosynthesis of phyto-functionalized silver nanoparticles using olive fruit extract and evaluation of their antibacterial and antioxidant properties

    Frontiers in Chemistry, Vol. 11

  4. Current progresses in two-dimensional MXene-based framework: prospects from superficial synthesis to energy conversion and storage applications

    Materials Today Chemistry, Vol. 27