Browsing by Author "Ahmad Nazrul Rosli"
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Publication Density Functional Theory (DFT) Calculation Of Band Structure Of Kesterite(Scientific.net, 2015) ;Katrul Nadia Basri, ;Noriza Ahmad Zabidi, ;Hasan Abu Kassim,Ahmad Nazrul RosliThe kesterite, Cu2ZnSnS4 has a big potential as a future solar material in replacing current material. Although the kesterite and copper indium gallium selenide, CIGS has almost same structure but the constituent elements of kesterite are earth-abundance, cheaper and non-toxic. The chalcogen elements existed inside the kesterite compound are selenium and sulphur, Cu2ZnSnSe4 / Cu2ZnSnS4. Therefore, the structural flexibility of kesterite opens up an avenue to develop light-absorber material with suitable properties and applications. The density functional theory (DFT) has been used to calculate the total energy of Kesterite developed from Material Studio - CASTEP. The general gradient approximation (GGA) has been choosing to treat the exchange-correlation. The structure of kesterite has been developed by determining its space group, I4 and Pc and its coordination of each atom. The previous calculated shown that the energy of its band gap is around 1.0-1.5 eV. - Some of the metrics are blocked by yourconsent settings
Publication The Synthesis of Oxalate-modified Pyrite/chitosan as an Antibacterial Composite(Emerald Publishing, 2023) ;Rashween Kaur Jagjit Singh ;Khee Chung Hui ;Nurul Khusna Mohd Salleh ;Prakash Peechmani ;Farhana Aziz ;Hamidah Abdullah ;Ahmad Nazrul RosliNonni Soraya SambudiThe combination of organic and inorganic components has produced bioactive materials with excellent properties. Chitosan is a widely used organic component that has received recognition as a biocompatible material. In contrast, naturally occurring pyrite has so far received limited exposure as a biomaterial, despite its great antibacterial activity. Hence, the incorporation of pyrite into the chitosan matrix is expected to highlight the usage of pyrite as a bioactive material, particularly in antibacterial response. In this research, chitosan and oxalate-modified pyrite were combined to form beads at wt% pyrite loadings of 1, 3 and 5%. Energy-dispersive X-ray spectroscopy analysis could confirm the loading of pyrite into the bead matrix. The beads exhibit a high water absorption ability. With the addition of pyrite, the absorption of water could increase up to 37% compared with that of blank chitosan beads. The immersion of beads in simulated body fluid shows the bioactivity of beads by formation of apatite. Microbial activity against Escherichia coli and Staphylococcus aureus is exhibited by all composite beads containing oxalate-modified pyrite, particularly by beads containing 5 wt% oxalate–pyrite.