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

Authors: Ayyaz, Ahmad ^{a, ⁎}, Boukhris, Imed ^b, Fraz, Ahmad ^c, Alqorashi, Afaf Khadr ^d, Mahmood, Q. ^{e, f, ⁎⁎}, Amin, Lamiaa Galal ^g, Murtaza, G. ^a, Shakir, M. Basit ^a

Source: In Materials Science in Semiconductor Processing January 2025 185

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

Authors: khan, Hummaira ^{a, ⁎}, Murtaza, G. ^{a, ⁎⁎}, Ayyaz, Ahmad ^a, Shakir, M. Basit ^a, Touqir, Maryam ^a, Iqbal, Khubaib ^a, Usman, Ahmad ^a, Mumtaz, Sohail ^b, Moussa, Ihab Mohamed ^c

Source: In Materials Science in Semiconductor Processing January 2025 185

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

Authors: Usman, Ahmad ^{a, ⁎}, Murtaza, G. ^{a, ⁎}, Ayyaz, Ahmad ^a, Boukhris, Imed ^b, Ali, Hafiz Irfan ^a, Shakir, M. Basit ^a, Alkhaldi, Hanof Dawas ^c, Touqir, Maryam ^a, Alshahrani, Thamraa ^d, Ashraf, Muhammad Umair ^e

Source: In Inorganic Chemistry Communications May 2025 175

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

Authors: Touqir, Maryam, Murtaza, G., Ayyaz, Ahmad, Shakir, M. Basit, Usman, Ahmad, Khan, Hummaira, Algethami, Norah, Rehman, Hafeez Ur, Rehman, M. Faisal

Source: In Materials Science in Semiconductor Processing December 2024 184

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

Authors: Ayyaz, Ahmad, Murtaza, G., Alshihri, Abdulaziz A, Shakir, M. Basit, Naeem, Naeema, Al-Anazy, Murefah mana, Ali, Muhammad

Source: In Chemical Physics Letters 16 May 2024 843

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

Authors: Ayyaz, Ahmad, El-Rayyes, Ali, Ali, Hafiz Irfan, Kebaili, Imen, Shakir, M. Basit, Syed, Imam Saheb, Mahmood, Q.

Source: Journal of the Korean Ceramic Society; 20250101, Issue: Preprints p1-13, 13p

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

Authors: Ayyaz, Ahmad, Murtaza, G., El-Rayyes, Ali, Hussain, Muhammad, Alqorashi, Afaf Khadr, kebaili, Imen, Shakir, M. Basit, Mahmood, Q.

Source: Journal of Inorganic & Organometallic Polymers & Materials; Nov2024, Vol. 34 Issue 11, p5113-5131, 19p

Subject Terms: BAND gaps, THERMOELECTRIC apparatus & appliances, P-type semiconductors, PEROVSKITE, ENERGY conversion, RUBIDIUM

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

Authors: Ayyaz, Ahmad, Irfan, M., Shakir, M. Basit, Khan, Hummaira, Karmouch, Rachid, Ibrahium, Hala A., Albalawi, Hind, Mahmood, Q.

Source: Optical & Quantum Electronics; Sep2024, Vol. 56 Issue 9, p1-19, 19p

Subject Terms: ELECTRONIC band structure, HEAT of formation, ENERGY harvesting, CLEAN energy, THERMOELECTRIC materials

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

Authors: Ali, Hafiz Irfan, Muhammad, Nawaz, Murtaza, G., Naeem, Maha, Raza, Hafiz Hamid, Usman, Ahmad, Saleem, Saba, Shakir, M. Basit, Almashnowi, Majed Y., Ashraf, Muhammad Umair, Ayari-Akkari, Amel

Source: In Inorganic Chemistry Communications December 2024 170 Part 2

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

Authors: Shakir, M. Basit¹ (AUTHOR) mbasitshakir1@gmail.com, Murtaza, G.¹ (AUTHOR) gmrai@gcu.edu.pk, Ayyaz, Ahmad¹ (AUTHOR), Khan, Hummaira¹ (AUTHOR), Ali, Hafiz Irfan¹ (AUTHOR), Touqir, Maryam¹ (AUTHOR)

Source: Optical & Quantum Electronics. May2024, Vol. 56 Issue 5, p1-21. 21p.

Subject Terms: *CLEAN energy, *COPPER, *ELASTICITY, *ENERGY dissipation, *DENSITY of states, *THERMOELECTRIC generators, *SOLAR cells, *ELASTIC constants

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

Authors: Ayyaz, Ahmad¹ (AUTHOR) raiayyaz23@gmail.com, Mahmood, Q.^2,3 (AUTHOR) qmmustafa@iau.edu.sa, Ali, Syed Kashif^4,5 (AUTHOR), Naeem, Maha (AUTHOR), Amin, Lamiaa Galal (AUTHOR), Shakir, M. Basit (AUTHOR), Kebaili, Imen (AUTHOR), Mahmoud, Safwat A. (AUTHOR)

Source: Journal of Inorganic & Organometallic Polymers & Materials. Oct2024, p1-12.

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.

Authors: Ayyaz, Ahmad¹ (AUTHOR) raiayyaz23@gmail.com, Murtaza, G.¹ (AUTHOR), Algethami, Norah² (AUTHOR), Usman, Ahmad¹ (AUTHOR), Shakir, M. Basit¹ (AUTHOR), Mahmood, Q.^3,4 (AUTHOR)

Source: Physica B. Oct2024, Vol. 690, pN.PAG-N.PAG. 1p.

Subject Terms: *ALKALI metals, *SOLAR energy, *PEROVSKITE, *BAND gaps, *SEEBECK coefficient, *ELASTICITY