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J Inorg Organomet Polym, 2025, 35, 5363
DOI: 10.1007/s10904-025-03594-x

A comprehensive DFT analysis of structural, thermoelectric, optoelectronic, and magnetic properties of X2NaCrCl6 (X=K, Rb) halide perovskites
Jahangir Abbas, Yong Xu, Kiran Riaz, Asima Aziz, Afaf Khadr Alqorashi and Muhammad Faizan
Multiscale and Multidiscip. Model. Exp. and Des., 2025, 8
DOI: 10.1007/s41939-025-01032-6

Design and development of an energy monitoring and SDCard– based data logging system for on-grid solar power plants
Alberta Bihaqil Hakiki, Aldo Febriyan, Rizky Aditya Fujiyanto, As’ad Shidqy Aziz and Aditya Chandra Hermawan
EPJ Web Conf., 2025, 344, 01002
DOI: 10.1051/epjconf/202534401002

Screening the structural, optoelectronic and thermoelectric features of novel inverse perovskites X3MgNa (X= Cl, Br and I): A theoretical investigation
Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor, Ayman A. Ghfar, Yedluri Anil Kumar, Hamid Ullah and Ramesh Sharma
Solid State Communications, 2024, 390, 115622
DOI: 10.1016/j.ssc.2024.115622

Theoretical investigation on the multifunctional attributes of RhHfX (X=P, As) half Heusler semiconductor for advanced technological applications
Nazia Iram, Ramesh Sharma, Javed Ahmad, Saba Khalid and Meznah M. Alanazi
Journal of Physics and Chemistry of Solids, 2025, 206, 112829
DOI: 10.1016/j.jpcs.2025.112829

A DFT analysis of enhanced structural, mechanical, elastic tensor analysis, optical, electronic, thermoelectric and magnetic characteristics of X2ScHgCl6 (X=Cs, Rb)
Nasarullah, Mubashar Nazar, Syed Muhammad Kazim Abbas Naqvi, Gamil A.A.M. Al-Hazmi and Yazen M. Alawaideh
Journal of Physics and Chemistry of Solids, 2025, 201, 112637
DOI: 10.1016/j.jpcs.2025.112637

DFT study of structural, electronic, and optical characteristics of Cs2RbAuM6 (M = Cl, F)
S. Dahri, A. Jabar, L. Bahmad, L.B. Drissi and R. Ahl Laamara
Materials Chemistry and Physics, 2026, 347, 131439
DOI: 10.1016/j.matchemphys.2025.131439

DFT study on narrow band gap double perovskites M2SbAuCl6 (M=Cs,K,Rb) for optoelectronic and thermoelectric applications
Mahalakshmi P., Hannah Jeniffer I., Nandhakumar Eswaramoorthy, Punithavelan N., Abdullah N. Alodhayb, Khalid E. Alzahrani, Saravanan Pandiaraj and Sudharsan J.B.
Materials Science and Engineering: B, 2025, 321, 118483
DOI: 10.1016/j.mseb.2025.118483

Computational prediction analysis on physical attributes of rare earth-based Rb2REAgCl6 (RE=La, Lu)
Mingliang Zheng, Ali B.M. Ali, Jisha Annie Abraham, Ramesh Sharma, Yahia Said, Imen Kebaili and Vipul Srivastava
Journal of Rare Earths, 2025
DOI: 10.1016/j.jre.2025.08.018

DFT driven insights into physical, opto-electronic attributes of novel layered Sr2MO4 (M = Hf, Ti, V) perovskites for advanced solar cell applications
Abrar Nazir, Aparna Dixit, Ejaz Ahmad Khera, Mumtaz Manzoor, Ramesh Sharma, Ali El-Rayyes, Sabirov Sardor, Abdulla Hayitov and F. F. Al-Harbi
Indian J Phys, 2025
DOI: 10.1007/s12648-025-03863-y

First-principles investigation of Rb2NaXCl6 (X = In, Tl) compounds for energy harvesting applications
Ayesha Masoud, Sidra Sarfraz, Muhammad Yaseen, Shatha A. Aldaghfag, Mudassir Ishfaq, Abdulaziz A. Alshihri and Umer Younis
Journal of Physics and Chemistry of Solids, 2025, 196, 112375
DOI: 10.1016/j.jpcs.2024.112375

DFT Insights on the Optoelectronic and Thermoelectric Characteristics of Lead-Free Na2InGaX6(X = Cl, I) Double Perovskites for Environmentally Friendly Energy Applications
Li Hongjie, Abrar Nazir, Vishal R. Panse, Ejaz Ahmad Khera, Hafiz Muhammad Talha, Mumtaz Manzoor, Refka Ghodhbani and Ramesh Sharma
J Inorg Organomet Polym, 2025, 35, 8720
DOI: 10.1007/s10904-025-03711-w

Unveiling physical properties of LaMnSb and LuMnSb half-Heusler compounds for green energy applications: A DFT exploration
Qiong Peng, Abrar Nazir, Ejaz Ahmad Khera, Ramesh Sharma, Javed Rehman, Rajwali Khan, Syed Kashif Ali and Samia Ben Ahmed
Journal of Rare Earths, 2025, 43, 2461
DOI: 10.1016/j.jre.2024.12.026

Comprehensive DFT Study on the Structural, Electronic, Optical, Mechanical, and Thermodynamic Behavior of Lead‐Free AZnX3 (A = Al, Ag; X = Cl, Br) Perovskites for Optoelectronic Applications
Mushfique Azad Takin, Md Shoab Uddin, Umme Humayra Anuva and Md. Rabbi Talukder
Energy Science & Engineering, 2026, 14, 163
DOI: 10.1002/ese3.70344

Comprehensive DFT and SCAPS‐1D Study of Structural, Electronic, Optical, Mechanical, Phonon, Thermoelectric, and Photovoltaic Properties of Lead‐Free Z3BrO (Z = K, Rb, Cs, and Fr) Anti‐Perovskites
Rifat Rafiu, Md. Sakib Hasan Saikot, Imtiaz Ahamed Apon, Imed Boukhris, Ali El‐Rayyes, Mohd Taukeer Khan, Q. Mohsen and Md. Azizur Rahman
J Comput Chem, 2025, 46
DOI: 10.1002/jcc.70221