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All Journal Jurnal Ilmu Fisika Journal of Engineering and Technological Sciences
Mobarak, Nadhratun Naiim
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Aerospace Engineering Astronomy Automotive Engineering Chemical Engineering, Chemistry & Bioengineering Civil Engineering, Building, Construction & Architecture Earth & Planetary Sciences Electrical & Electronics Engineering Materials Science & Nanotechnology Physics

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Effect of Citric Acid on Electrochemical Properties of Liquid Electrolytes Noor, Nur Farah Izzati Mohd; Saidin, Saiyidah Nafisah; Ra’il, Nur Hani; Mobarak, Nadhratun Naiim
Jurnal Ilmu Fisika Vol 13, No 2 (2021): Published in September 2021 (COMING ISSUE)
Publisher : Universitas Andalas

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.25077/jif.13.2.80-91.2021

Abstract

Effect of citric acid as plasticizer on the electrochemical properties of liquid electrolyte has been studied. Liquid electrolyte was prepared by dissolving citric acid in 1% acetic acid with presence of lithium nitrate salt. Liquid electrolyte is characterized using a conductivity meter to measure the ionic conductivity value. Computer simulation of Density Functional Theory (DFT) with B3LYP/6-31G ++ (d, p) basic set was performed to identify the dominant functional group of citric acid when interact with lithium salt. Increasing the weight of citric acid has increased the ionic conductivity up to 44.89 mS/cm with an optimum weight of 4 g, while the ionic conductivity increases up to 43.00 mS/cm when the percentage of lithium nitrate salt increases up to 30%. The ionic conductivity increases as the salt percentage increases due the interaction between salt and functional group of citric acid. Based on computer simulation of DFT,  the dominant functional group in citric acid that interact with lithium salt are carboxylic acid group which is located in the middle of the citric acid chain causing lithium ions to be more likely interact with citric acid.
Effect of Monosaccharides and Disaccharides Type on Ionic Conductivity of Liquid Electrolyte Based Lithium Iodide Ra'il, Nur Hani; Mobarak, Nadhratun Naiim
Jurnal Ilmu Fisika Vol 13, No 2 (2021): Published in September 2021 (COMING ISSUE)
Publisher : Universitas Andalas

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.25077/jif.13.2.70-79.2021

Abstract

Liquid electrolyte was prepared by dissolving glucose, fructose, sucrose and lactose separately with different percentage of lithium iodide (10 – 35%) in aqueous solution of 1% acetic acid. Liquid electrolyte is characterized using conductivity meter to determine ionic conductivity. Computer simulations of Density Functional Theory (DFT) was used to identify the dominant functional groups on monomers such as glucose, sucrose, fructose and lactose when interact with the lithium salt by using B3LYP/6-31G ++ (d, p) basis set. The highest ionic conductivity for monosaccharide is glucose at 28.20 mS/cm while for disaccharide is lactose at 28.00 mS/cm with percentage of salt at 35 wt.%. Ionic conductivity increases when concentration of salt increase because there is an interaction between salt with functional groups of compounds. Based on computer simulations of DFT, interaction between lithium with compounds can be occurred due to negative electrostatic potential on the molecule. Electronegativity value of oxygen atom in glucose (-0.562e) and lactose (-0.567e) higher than fructose (-0.559e) and sucrose (-0.515e). Functional groups that are dominant to interact when interact with lithium salt are O-15 for glucose and O-17 for lactose due to the shorter bond length, the stronger energy attraction between functional groups with lithium.
Two-electron CO2 Reduction Reaction Mechanism on Nickel Cobalt Phosphate Surface Doped by Transition Metal: A DFT Study Primipara, Raka; Syaifullah, Dzaki Ahmad; Nuruzzahran, Muhammad Arkan; Wijayanti, Dyah Puspasari; AlMohamadi, Hamad; Mobarak, Nadhratun Naiim; Fathurrahman, Fadjar; Saputro, Adhitya Gandaryus
Journal of Engineering and Technological Sciences Vol. 58 No. 2 (2026): Vol. 58 No. 2 (2026): April
Publisher : Directorate for Research and Community Services, Institut Teknologi Bandung

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.5614/j.eng.technol.sci.2026.58.2.3

Abstract

In this study, we explore the activity and selectivity of the CO2 reduction reaction (CO2RR) to CO and HCOOH on pure and transition metal-doped NiCoPO(100) surfaces using density functional theory (DFT) calculations. The novelty of this work lies in demonstrating that substitutional doping with Mn, Fe, and Cu significantly alters the thermodynamic landscape of CO₂RR, particularly in enhancing selectivity toward HCOOH. While CO remains the dominant product on most surfaces, Mn-doped NiCoPO(100) uniquely reverses this trend by reducing the limiting potential for HCOOH formation to a value lower than that for CO production. Furthermore, Mn doping suppresses the competitive hydrogen evolution reaction (HER), steering the reaction pathway more selectively toward formic acid. These findings introduce Mn-doped NiCoPO as a promising and tunable catalyst platform for selective CO₂ to HCOOH conversion, providing valuable insights for designing efficient catalysts for sustainable carbon utilization.
Co-Authors AlMohamadi, Hamad Fathurrahman, Fadjar Noor, Nur Farah Izzati Mohd Nuruzzahran, Muhammad Arkan Primipara, Raka Ra'il, Nur Hani Ra’il, Nur Hani Saidin, Saiyidah Nafisah Saputro, Adhitya Gandaryus Syaifullah, Dzaki Ahmad Wijayanti, Dyah Puspasari