Browsing by Author "Fadhlul Wafi, Badrudin"
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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 ...