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Mohamed Abdel Raouf Mousa Elsheikh

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Professor

كلية العلوم
Building 5, Office AB 43
المنشورات
مقال فى مجلة
2024

Effect of position occupancy of different elements on the structural stability, optoelectronic, thermoelectric and elastic properties of Cs2CuAsX6 (X: Cl, Br, I) halide double perovskite: DFT analysis

As lead-free halide perovskite material has favourable applications toward solar cells and renewable energy resources. This paper aims to study the optoelectronicthermoelectric and mechanical behaviour of novel compound Cs2CuAsX6 (X = Cl, Br, I) in the framework of density functional theory using wien2k code. To check crystal and thermodynamical stability, we investigated the lattice constant (ao), tolerance factor (tf) and formation energy (ΔHf) of Halide Double Perovskites (HDPs). Band structure calculation performs by PBE-GGA potential reveals the indirect and narrow band gaps, which have been further verified using TB-mBJ approach and obtained values are (1.03, 0.92, 0.6) eV for Cs2CuAsCl6, Cs2CuAsBr6, and Cs2CuAsI6, respectively. Furthermore, the investigation of the maximum optical conductivity within the energy range of 1.0–4.0 eV has demonstrated that the examined Double Perovskites (DPs) hold great potential for application in optoelectronic and photovoltaic devices. The semi-classical Boltzmann theory is employed for thermoelectric property calculation and Seebeck values along with electrical conductivity confirm the good figure of merits. Cs2CuAsI6 has the highest ZT of the DPs that were examined, which is noteworthy. Also, Cs2CuAsI6 is mechanically stable and shows ductile nature of material.

نوع عمل المنشور
Research article
اسم الناشر
Materials Science in Semiconductor Processing
رقم المجلد
174
الصفحات
108187
مزيد من المنشورات
publications

Plant diversity in arid environments is very important for ecosystem function and services. Raudhat habitat is among the most important ecosystems in the arid regions which is characterized by its…

بواسطة Al-Huqail, A.A., Al-Harbi, H.F., Alowaifeer, A.M., El-Sheikh, M.A., Assaeed, A.M., Alsaleem, T.S., Kassem, H.S., Azab, O.M., Dar, B.A., Malik, J.A. and Abd-ElGawad, A.M.
2025
تم النشر فى:
BMC
publications

The vanadium (V) toxicity predominantly is the primary limitation in restraining pepper growth.

بواسطة Mushtaq, N., Altaf, M.A., Shu, H., Lu, X., Cheng, S., El-Sheikh, M.A., Ahmad, P., Fu, H. and Wang, Z.
2025
تم النشر فى:
Elsevier
publications

The study addresses the environmental challenge posed by dye-laden wastewater, specifically focusing on the toxicity and persistence of Acid Red 73 (AR73). Traditional treatment methods often face…

بواسطة Alprol, A.E., El Sheikh, M.A., Pereira, P. and Khairy, H.M.
2025
تم النشر فى:
Springer nature