Browsing International Journal of Nanoelectronics and Materials (IJNeaM) by Author "Mohamad Fariz, Mohamad Taib"
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Benefits of molybdenum substitution in Na3V2(PO4)3 cathode material for sodium ion batteries: A first principles study
Mohamad Firdaus, Rosle; Fadhlul Wafi, Badrudin; Siti Munirah, Hasanaly; Siti Aminah, Mohd Noor; Mohamad Fariz, Mohamad Taib; Muhd Zu Azhan, Yahya (Universiti Malaysia Perlis (UniMAP), 2020-12)The first principles study on the structural and electronic properties of Na3V2(PO4)3 (NVP) was performed using first principles calculation. Results on lattice constant, Mulliken analysis and density of state are discussed ... -
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 ...