selected publications academic article Reduced graphene oxide-ZnO hollow microsphere composite for supercapacitor applications. SINERGI. 29:539. 2025 Computational Analysis of Interactions between Human and Bovine Proteins and Organophosphorus Pesticides. MALAYSIAN JOURNAL OF CHEMISTRY. 26. 2024 Effect of Mn Incorporated into LiNbO<sub>3</sub> Crystal Structure on the Electronic and Optical Properties Using First-Principles Study. Defect and Diffusion Forum. 425:15-20. 2023 Electronic and optical properties of Au and Ag doped LiNbO3 from first principles study. Materials Today: Proceedings. 2023 First-principles approach to the structural, electronic and intercalation voltage of Prussian blue (KxFe[Fe(CN)6]) (x = 1, 2) as potential cathode material for potassium ion batteries. Journal of Solid State Electrochemistry. 27:1095-1106. 2023 The influence of Cl doping on the structural, electronic properties and Li-ion migration of LiFePO4: A DFT study. Computational and Theoretical Chemistry. 1221:114029. 2023 Evaluation of Olivine LiFePO<sub>4</sub> Polyanionic Cathode Material Using Density Functional Theory. Key Engineering Materials. 908:293-298. 2022 Ab Initio: Study on Structural Properties of NaFeSO OH Cathode Material for Rechargeable Sodium Ion Battery. Solid State Phenomena. 317:400-405. 2021 Spheroid Nickel Nanoparticles Synthesized in CTAB Solution Using Gamma Radiation. Solid State Phenomena. 317:138-143. 2021 Effects of strain on electronic and optical properties of LiNbO3: a first principles study. Materials Research Express. 6:114002. 2019 First-principles study on structural and electronic properties of Prussian blue cathode material for sodium-ion battery. Molecular Crystals and Liquid Crystals. 693:115-122. 2019 Effects of Vanadium Substitution in the Layered LiFeSO 4 OH: A First Principles Investigation. Materials Today: Proceedings. 4:5108-5115. 2017 First-principles calculation on electronic properties of zinc oxide by zinc–air system. Journal of King Saud University - Engineering Sciences. 29:278-283. 2017 Effect of lithium intercalation on the structural and electronic properties of layered LiFeSO4OH and layered FeSO4OH using first-principle calculations. Computational Materials Science. 119:144-151. 2016 First Principles Study on Structural and Electronic Properties of PZT and PSnZT Using Density Functional Theory. Materials Science Forum. 846:734-739. 2016 Determination of Electronic Structure and Band Gap of Li2MnP2O7 via First-Principle Study. Integrated Ferroelectrics. 155:71-79. 2014 Establishment of Structural and Elastic Properties of Titanate Compounds Based on Pb, Sn and Ge by First-Principles Calculation. Applied Mechanics and Materials. 510:57-62. 2014 First Principles Calculation of Tetragonal (P4 mm) Pb-free Ferroelectric Oxide of SnTiO3. Ferroelectrics. 459:134-142. 2014 First Principles Study on Structural and Electronic Properties of LiFeSO<sub>4</sub>OH Cathode Material for Lithium Ion Batteries. Applied Mechanics and Materials. 510:33-38. 2014 First-Principles Comparative Study of the Electronic and Optical Properties of Tetragonal (P4mm) ATiO3 (A = Pb,Sn,Ge). Integrated Ferroelectrics. 155:23-32. 2014 First-Principles Calculation of the Structural, Elastic, Electronic and Lattice Dynamics of GeTiO3. Ferroelectrics. 452:122-128. 2013 chapter Electronic and Electrochemical Properties of Novel Cathode Material NaFeSO4OH by First-Principle Calculations. Lecture Notes in Mechanical Engineering. 285-298. 2024 conference paper Ab-initio study of active lone pair of Ge<sup>2+</sup> cation in novel perovskite GeTiO<inf>3</inf> compound. 708-712. 2012 Comparative study of cubic Pm3m between SnZrO<inf>3</inf> and PbZrO<inf>3</inf> by first principles calculation. 713-718. 2012