The quest of novel materials for renewable energy: A DFT approach of tuning the physical attributes of KInX3 (X=F, Cl, Br, I) perovskites

Authors: Akhtar, Masoofa ^a, Munir, Junaid ^a, Murtaza, Hudabia ^{a, b}, Ain, Quratul ^b, Aldwayyan, Abdullah S. ^c, Ghaithan, Hamid M. ^c, Ali Ahmed, Abdullah Ahmed ^d, Qaid, Saif M.H. ^{c, ⁎}

Source: In Physica B: Condensed Matter 1 March 2025 700

First-principles screening of optoelectronics and thermoelectric response of XAcTe2 (X=K, Rb) full Heusler alloys: mBJ+SOC effect

Authors: Jamil, Muhammad, Bousbih, R., Sajid, Muhammad, Akhtar, Masoofa, Soliman, Mohamed S., Alshomrany, Ali S., El-Badry, Yaser A., Shaban, Mohamed, Ahmad, Arsalan, Nazar, Mubashir

Source: In Journal of Physics and Chemistry of Solids September 2024 192

The Determination of the Mechanical, Optoelectronic, Structural and Transport Attributes of Double Perovskite A2InGaBr6 (A=K, Rb, Cs) Halides for Renewable Energies: A DFT Study.

Authors: Akhtar, Masoofa, Munir, Junaid, Ain, Quratul, Aldwayyan, Abdullah S., Ghaithan, Hamid M., Ahmed, Abdullah Ahmed Ali, Qaid, Saif M. H.

Source: ChemPhysChem; 3/3/2025, Vol. 26 Issue 5, p1-11, 11p

A Theoretical Insight into the Physical Characteristics of Double Perovskite Rb2TlInBr6 for Renewable Energy Applications.

Authors: Qaid, Saif M. H.¹, Ain, Quratul², Akhtar, Masoofa³, Murtaza, Hudabia^2,3, Ghaithan, Hamid M.¹, Ahmed, Abdullah Ahmed Ali⁴, Munir, Junaid³, junaid.munir@riphah.edu.pk

Source: Crystal Research & Technology; Mar2024, Vol. 59 Issue 3, p1-9, 9p

A Theoretical Insight into the Physical Characteristics of Double Perovskite Rb2TlInBr6 for Renewable Energy Applications.

Authors: Qaid, Saif M. H., Ain, Quratul, Akhtar, Masoofa, Murtaza, Hudabia, Ghaithan, Hamid M., Ahmed, Abdullah Ahmed Ali, Munir, Junaid

Source: Crystal Research & Technology; Mar2024, Vol. 59 Issue 3, p1-9, 9p

Investigating the Physical Characteristics of Halide Double Perovskites X2LiSbI6 (X = K, Cs): A First-Principles Approach.

Authors: Akhtar, Masoofa (AUTHOR), Alanazi, Faisal Katib¹ (AUTHOR) Faisal.katib.al@gmail.com, Sajid, Muhammad^2,3 (AUTHOR), Abdalla, Sahar (AUTHOR), Belhachi, Soufyane^4,5 (AUTHOR), Nasarullah (AUTHOR), Nazar, Mubashir⁶ (AUTHOR) mubasharnazar1563@gmail.com, Murtaza, Sadia (AUTHOR), Naqvi, Syed Muhammad Kazim Abbas^7,8 (AUTHOR), Alqorashi, Afaf Khadr (AUTHOR), Alawaideh, Yazen M. (AUTHOR), Faizan, Muhammad (AUTHOR), Ahmad, Muhammad Shiraz (AUTHOR)

Source: Journal of Inorganic & Organometallic Polymers & Materials. Feb2025, p1-15.

Unlocking Stability and Efficiency in Double Inorganic Halide Perovskite Cs2KMoX6 (X = Cl, I) Materials Through First Principles Study.

Authors: Akhtar, Masoofa (AUTHOR), Nazar, Mubashar¹ (AUTHOR) mubasharnazar1563@gmail.com, Sajid, Muhammad^2,3 (AUTHOR), Nasarullah⁴ (AUTHOR) thenasru@hotmail.com, Al-Hazmi, Gamil A. A. M. (AUTHOR), Abualnaja, Khamael M. (AUTHOR), Faizan, Muhammad (AUTHOR), Qayyum, Basit (AUTHOR), Alawaideh, Yazen M. (AUTHOR)

Source: Journal of Inorganic & Organometallic Polymers & Materials. Feb2025, p1-19.