Electronic Study of Rare Earth Intermetallics in CsCl Phase

Purvee Bhardwaj, Ramakant Bhardwaj, Satyendra Narayan and Tholkappiyan Ramachandran

Advances in Condensed Matter Physics, 2024, 2024
DOI: 10.1155/2024/3315326

Rational engineering of symmetrical perovskite electrodes with alloy@FeOx dual-active centers for efficient methane-assisted CO2 electrolysis

Yan Zhu, Xingxing Li, Ling Zhao, Nan Zhang, Beibei He and Yida Deng

Applied Catalysis B: Environment and Energy, 2026, 381, 125812
DOI: 10.1016/j.apcatb.2025.125812

Electronic, optoelectronic, and transport properties of Li2ScCuX6 (X= Cl, Br, and I) double perovskites: DFT study for nano‐architectonics devices

Dost Muhammad, Syed Hatim Shah, Muneerah Alomar, Baseerat bibi, Nisar Ali and Mohammad M. Al‐Hinaai

J Chinese Chemical Soc, 2026, 73, 65
DOI: 10.1002/jccs.70113

Structural, elastic, electronic, and optical properties of lead-free halide double perovskites Cs2BꞌBꞌꞌBr6 (BꞌBꞌꞌ: BeMg, CdBe, CdGe, GeMg, GeZn, MgZn): Ab initio calculations

Messaoud Caid, Djamel Rached, Habib Rached and Youcef Rached

J Mol Model, 2024, 30
DOI: 10.1007/s00894-024-05861-z

DFT analysis of elastic and optoelectronic properties of Cs2NaXCl6 (X=In, La, Sc, Y) double perovskite compounds

Shakeel Shakeel, Peng Song, Syed Hatim Shah, Zeshan Zada, Taihong Huang, Amel Laref, Nadimullah Hakimi and Muhammad Faizan

Materials Chemistry and Physics, 2024, 324, 129683
DOI: 10.1016/j.matchemphys.2024.129683

Investigation of structure, optoelectronic, and thermodynamic properties of gallium-based perovskites GaMF3 (M = Ca, and Cd) for solar cell applications

Syed Hatim Shah, Muhammad Arif, Muhammad Tauseef Qureshi, Akif Safeen, Shams Zaman, Iqtidar Ahmad, Ihtisham Ghani, Muhammad Naqeeb Ahmad, Rawaid Ali, Mahmoud Al Elaimi, Lubna Aamir, Jiansheng Lu and Junaid Riaz

Opt Quant Electron, 2024, 56
DOI: 10.1007/s11082-024-07354-y

Crystal structure, stability, and transport properties of Li2BeAl and Li2BeGa Heusler alloys: a DFT study

Sima Mahmoudi, Mir Maqsood Golzan and Ebrahim Nemati-Kande

Sci Rep, 2024, 14
DOI: 10.1038/s41598-024-63092-x

First-principles calculations of electronic and mechanical properties of magnesium indium intermetallic compounds

Liang Sun, Yidan Huang, Kaifeng Zhao, Zuoming Chen, Xiongtao Shang, Wenzhen Xu, wenyan Zhai, Pengyue Han, Jin Jia and Jianhong Peng

Computational Condensed Matter, 2025, 43, e01027
DOI: 10.1016/j.cocom.2025.e01027