Browsing International Journal of Nanoelectronics and Materials (IJNeaM) by Author "mfariz@uitm.edu.my"
Now showing items 1-4 of 4
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Effect of water molecules toward the structural and electronic properties of Prussian Blue cathode material for potassium battery: A first principles investigation
Fatin Nabilah, Sazman; Noor Atiqah, Md Nasir; Fadhlul Wafi, Badrudin; Shahrul Izwan, Ahmad; Mohamad Fariz, Mohamad Taib; Muhd Zu Azhan, Yahya (Universiti Malaysia Perlis (UniMAP), 2020-12)Fe(CN)6 vacancies will usually form in the process of Prussian Blue synthetization due to rapid precipitation then will be occupied by water (H2O) molecules. Through first principles calculation, this situation is simulated ... -
First-principles study on electronic properties, phase stability and strain properties of cubic (Pm3m) and tetragonal (P4mm) ATiO3 (A=Pb, Sn)
Nurakma Natasya, Md Jahangir Alam; Nur Aisyah, Ab Malik Marwan; Nur Hafiz, Hussin; Ab Malik Marwan, Ali; Oskar Hasdinor, Hassan; Muhd Zu Azhan, Yahya; Mohamad Fariz, Mohamad Taib (Universiti Malaysia Perlis (UniMAP), 2020-12)The electronic, phase stability and epitaxial strain properties of cubic and tetragonal structure of PbTiO3 and SnTiO3 were investigated using density functional theory (DFT) with space group (Pm3m) for cubic and (P4mm) ... -
First-principles study on the doping effects of La on the structural, electronic and optical properties of MgO
Mohamad Fariz, Mohamad Taib; Mohd Hazrie, Samat; S. Z. N., Demon; Nur Hafiz, Hussin; Oskar Hasdinor, Hassan; Muhd Zu Azhan, Yahya; Ab Malik Marwan, Ali (Universiti Malaysia Perlis (UniMAP), 2020-12)The structural, electronic and optical properties of pure MgO and La-doped MgO were investigated by first-principles study based on density functional theory (DFT). The good agreement of the calculated lattice parameters ... -
The structural, electronic and mechanical properties of 𝜶�� and 𝜷�� phases in titanium using density functional theory
N. A., Malik; M., Yahaya; N. N., Alam; M. H., Ismail; O. H., Hassan; A. M. M., Ali; M. H., Samat; M. F. M., Taib (Universiti Malaysia Perlis (UniMAP), 2020-12)In this paper, the structural, electronic and mechanical properties of 𝛼 and 𝛽 phases in titanium (Ti) with the space group of P63/mmc and Im3m were computed by using first-principles calculations through density functional ...