NFDI4DS | UHH-SEMS - Publication Details

M. Basit Shakir

ORCID: 0009-0008-4152-9484

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A5108958068

Research Areas

Perovskite Materials and Applications
Heusler alloys: electronic and magnetic properties
Thermal Expansion and Ionic Conductivity
Advanced Thermoelectric Materials and Devices
Magnetic and transport properties of perovskites and related materials
Advanced Battery Materials and Technologies
Chalcogenide Semiconductor Thin Films
Inorganic Chemistry and Materials
Bone and Dental Protein Studies
Nanomaterials and Printing Technologies
Solid-state spectroscopy and crystallography
Protease and Inhibitor Mechanisms
Ferroelectric and Piezoelectric Materials
Advanced Battery Technologies Research
Gas Sensing Nanomaterials and Sensors
Biosensors and Analytical Detection
Scientific and Engineering Research Topics
Advancements in Battery Materials
Luminescence Properties of Advanced Materials
2D Materials and Applications
ZnO doping and properties
MXene and MAX Phase Materials
Advanced battery technologies research
Intermetallics and Advanced Alloy Properties

Government College University, Lahore
2024

A comprehensive DFT insight on physical features regarding potential applicability of double perovskites K2YCuZ6 (Z = Cl, Br) for energy harvesting applications

OPENALEX - Publications

Ahmad Ayyaz G. Murtaza Abdulaziz A. Alshihri M. Basit Shakir Naeema Naeem and 2 more

10.1016/j.cplett.2024.141258 article EN Chemical Physics Letters 2024-04-04

DFT aided comparative screening of mechanical, optoelectronic, and transport properties of double perovskites Cs2ScAuX6 (X = Cl, Br, and I) for green energy applications

OPENALEX - Publications

Ahmad Ayyaz G. Murtaza Ahmad Usman M. Basit Shakir Maha Naeem and 3 more

10.1016/j.inoche.2024.112527 article EN Inorganic Chemistry Communications 2024-05-10

Ab initio analysis of structural, optoelectronic, thermoelectric, and elastic characteristics of K2MBiBr6 (M = Na, Ag, and Cu) for green energy

OPENALEX - Publications

M. Basit Shakir G. Murtaza Ahmad Ayyaz Hummaira Khan Hafiz Irfan Ali and 1 more

10.1007/s11082-024-06790-0 article EN Optical and Quantum Electronics 2024-04-06

First-principles study of Na2AgAsZ6 (Z = F, Cl, Br, I) of structural, elastic, optoelectronic, and transport properties of lead-free halide double perovskites for energy conversion applications

OPENALEX - Publications

Hafiz Irfan Ali Nawaz Muhammad G. Murtaza Maha Naeem Ahmad Ayyaz and 2 more

10.1016/j.inoche.2024.112577 article EN Inorganic Chemistry Communications 2024-05-18

Study of electronic, optical, and thermoelectric aspects of double perovskites Rb2TlAsX6 (X = Cl, Br) for green energy applications: a DFT approach

OPENALEX - Publications

Ahmad Ayyaz Ali El‐Rayyes Hafiz Irfan Ali Imen Kebaïli M. Basit Shakir and 2 more

10.1007/s43207-025-00484-3 article EN Journal of the Korean Ceramic Society 2025-02-26

DFT Insight on Future Prospects of Double Perovskites A2YCuZ6 (A = Rb, Cs and Z = Cl, Br) for Energy Conversion Technologies

OPENALEX - Publications

Ahmad Ayyaz G. Murtaza Ali El‐Rayyes Muhammad Hussain Afaf Khadr Alqorashi and 3 more

10.1007/s10904-024-03170-9 article EN Journal of Inorganic and Organometallic Polymers and Materials 2024-06-20

Ab initio analysis of structural, electronic, magnetic, thermodynamic, and elastic properties of Half Heusler alloys ZMnAs (Z = Be, Mg) for spintronics applications

OPENALEX - Publications

Maryam Touqir G. Murtaza Ahmad Ayyaz M. Basit Shakir Ahmad Usman and 4 more

10.1016/j.mssp.2024.108807 article EN Materials Science in Semiconductor Processing 2024-08-16

First principles study of optoelectronic, thermoelectric, and mechanical features of double perovskites K2AgGaZ6 (Z = Cl, Br) for energy harvesting perspectives

OPENALEX - Publications

Ahmad Ayyaz M. Irfan M. Basit Shakir Hummaira Khan Rachid Karmouch and 3 more

10.1007/s11082-024-07321-7 article EN Optical and Quantum Electronics 2024-08-18

Probing the Structural, Electronic, Thermodynamic, Optical, and thermoelectric features of Lead-Free double perovskites Na2ScAgZ6 (Z=Br, I) for green energy harvesting

OPENALEX - Publications

M. Basit Shakir G. Murtaza Ahmad Ayyaz Hummaira Khan Maryam Touqir and 4 more

10.1016/j.inoche.2024.112932 article EN Inorganic Chemistry Communications 2024-07-30

Influence of alkali metal cation modifications on physical characteristics of double perovskites Rb2XTlBr6 (X=Li, Na, K): First-principles study for solar energy and thermoelectric applications

OPENALEX - Publications

Ahmad Ayyaz G. Murtaza Norah Algethami Ahmad Usman M. Basit Shakir and 1 more

10.1016/j.physb.2024.416245 article EN Physica B Condensed Matter 2024-06-26

Computational insight on K2AuBiX6 (X = F, Cl, Br, I) double perovskites to comprehensively investigate mechanical, optoelectronic, and thermoelectric features for green energy applications

OPENALEX - Publications

M. Basit Shakir G. Murtaza Ahmad Ayyaz Maryam Touqir Hummaira Khan and 5 more

10.1016/j.mseb.2024.117667 article EN Materials Science and Engineering B 2024-09-11

First-principles calculations to investigate Electronic, half-metallicity, thermodynamics, thermoelectric and mechanical properties of new Half-Heusler alloys FeCoZ (Z = Si, Ge, and Pb)

OPENALEX - Publications

Maryam Touqir G. Murtaza Ahmad Ayyaz Ahmad Usman M. Basit Shakir and 4 more

10.1016/j.comptc.2025.115066 article EN Computational and Theoretical Chemistry 2025-01-05

First-principles exploration of redox, electronic, thermoelectric, and thermodynamic properties of binary transition metal NaX1/3Mn2/3O2 (X = Ag, W, Zr) for enhanced performance of Na-ion batteries

OPENALEX - Publications

Ahmad Usman G. Murtaza Ahmad Ayyaz Imed Boukhris Hafiz Irfan Ali and 5 more

10.1016/j.inoche.2025.114157 article EN Inorganic Chemistry Communications 2025-02-01

Computational investigation of thermodynamic, optoelectronic and thermoelectric aspects of double perovskites A2YBiO6 (A = Mg, Ca, Ba): Promising green energy alternatives

OPENALEX - Publications

Hummaira Khan G. Murtaza M. Basit Shakir Maryam Touqir Sohail Mumtaz and 1 more

10.1016/j.cplett.2025.142057 article EN Chemical Physics Letters 2025-03-01

Structural stability, optoelectronic, thermoelectric, and elastic characteristics of X2ScBiO6 (X= Mg, Ca, and Ba) double perovskites for energy harvesting: First-principles analysis

OPENALEX - Publications

Hummaira Khan G. Murtaza Ahmad Ayyaz M. Basit Shakir Maryam Touqir and 4 more

10.1016/j.mssp.2024.108911 article EN Materials Science in Semiconductor Processing 2024-09-12

Exploring energy harvesting potential of lithium-based halide perovskites Li2CuSbZ6 (Z=Cl, Br): First principles approach

OPENALEX - Publications

Ahmad Ayyaz Imed Boukhris Ahmad Fraz Afaf Khadr Alqorashi Q. Mahmood and 3 more

10.1016/j.mssp.2024.108968 article EN Materials Science in Semiconductor Processing 2024-10-14

Exploration of physical aspects of Li2AgAsZ6 (Z = F, Cl, Br, I) double perovskites for energy harvesting perspectives

OPENALEX - Publications

Hafiz Irfan Ali Nawaz Muhammad G. Murtaza Maha Naeem Hafiz Hamid Raza and 6 more

10.1016/j.inoche.2024.113295 article EN Inorganic Chemistry Communications 2024-10-01

Innovation of Nano-hydrogels Loaded with Amelogenin Peptide and Hydroxyapatite Nano-Particles for Remineralisation of Artificially Induced White Spot Lesions

OPENALEX - Publications

M. Basit Shakir Harraa S. Mohammed-Salih Falah H. Hussein Jameel R. Al‐Obaidi Faridah Lisa Supian

10.1016/j.jddst.2024.105986 article EN Journal of Drug Delivery Science and Technology 2024-07-20

DFT Evaluation of Physical Characteristics of Novel Antiperovskites K3CuO and K3AgO for Optoelectronic and Thermoelectric Technologies

OPENALEX - Publications

Ahmad Ayyaz Q. Mahmood Syed Kashif Ali Maha Naeem Lamiaa Galal Amin and 3 more

10.1007/s10904-024-03414-8 article EN Journal of Inorganic and Organometallic Polymers and Materials 2024-10-15

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