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All Journal Jurnal Penelitian Saintek EKSAKTA: Journal of Sciences and Data Analysis Jurnal Sains Dasar Science and Technology Indonesia Indonesian Journal of Chemistry Jurnal Pengabdian Masyarakat MIPA dan Pendidikan MIPA Molekul: Jurnal Ilmiah Kimia Jumat Pendidikan: Jurnal Pengabdian Masyarakat Indonesian Journal of Chemistry and Environment Jurnal Elemen Kimia Jurnal Riset Pembelajaran Kimia
Cahyorini Kusumawardani
Universitas Negeri Yogyakarta
Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Civil Engineering, Building, Construction & Architecture Decision Sciences, Operations Research & Management Earth & Planetary Sciences Education Environmental Science Materials Science & Nanotechnology Physics Social Sciences Other

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Journal : Science and Technology Indonesia

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Fluorine Substitution in Diamine Covalent Organic Frameworks: Computational Analysis of CO2/N2 Adsorption and Permeability Darmawan, Noviyan; Apriliyanto, Yusuf Bramastya; Jati, Andreas Ary Chrisna; Kusumawardani, Cahyorini
Science and Technology Indonesia Vol. 10 No. 1 (2025): January
Publisher : Research Center of Inorganic Materials and Coordination Complexes, FMIPA Universitas Sriwijaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.26554/sti.2025.10.1.18-26

Abstract

In this study, we investigated the effect of fluorine substitution on a previously reported diamine based covalent organic framework (COF), designated as IPB-2H. A new fluorinated analogue namely IPB-2F2 was modeled and its adsorption and permeability characteristics for CO2/N2 gas mixtures were evaluated through computational analysis. Ab initio structural optimization results showed that the reduced pore size of IPB-2F2 compared to IPB-2H was attributed to the larger atomic size and higher electronegativity of fluorine compared to hydrogen atom. Molecular dynamics (MD) simulations demonstrated that IPB-2F2 exhibited lower permeation rates for CO2 and N2 than its non fluorinated counterpart; indicating that fluorine atoms effectively reduced gas permeation. Adsorption isotherms revealed enhanced adsorption capacities for IPB-2F2, with increased CO2 affinity resulting from strong van der Waals interactions. Selectivity analyses showed that IPB-2F2 preferentially absorbed CO2 over N2, with selectivity values consistently greater than 1. The enhanced gas uptake capacity and hydrophobicity of IPB-2F2 highlighted its potential for industrial applications as a post-combustion CO2 capture material.
The Synthesis of CH₃NH₃PbI₃₋ₓBrₓ under Uncontrolled Humidity for Perovskite Solar Cell Application Kusumawardani, Cahyorini; Ikhsan, Jaslin; Budiasih, Kun Sri; Herlambang Nugroho; Widowati, Asri
Science and Technology Indonesia Vol. 11 No. 1 (2026): January
Publisher : Research Center of Inorganic Materials and Coordination Complexes, FMIPA Universitas Sriwijaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.26554/sti.2026.11.1.298-310

Abstract

CH₃NH₃PbI₃₋ₓBrₓ perovskite films were successfully synthesized under uncontrolled humidity using a two-step spin-coating method followed by Ostwald ripening (OR) treatment. Bromide incorporation into CH₃NH₃PbI₃ was achieved by diluting the pre-formed CH₃NH₃PbI₃ films with CH₃NH₃Br (MABr) solutions at various concentrations. X-ray diffraction (XRD) analysis confirmed the formation of a tetragonal perovskite phase with reduced lattice parameters as the bromide concentration increased, indicating successful substitution of I⁻ by Br⁻ ions. Scanning electron microscopy (SEM) and energy-dispersive X-ray (EDX) characterization showed that moderate bromide incorporation (30–40 mg/mL) produced dense and uniform grains with homogeneous halide distribution, whereas excessive MABr resulted in non-uniform morphology and halide segregation, particularly under humid conditions. Optical analysis revealed a gradual blue shift of the absorption edge, consistent with band gap widening due to lattice contraction. Photovoltaic performance measurements demonstrated that higher MABr concentrations led to decreased current density and fill factor, attributed to excessive bromide content and defect formation. These findings indicate that controlled bromide incorporation via Ostwald ripening using an MABr concentration of 20 mg/mL effectively enhances the structural quality, film stability, and photovoltaic performance of CH₃NH₃PbI₃₋ₓBrₓ perovskite solar cells under humid environments.
Co-Authors A.K Prodjosantoso A.K Prodjosantoso Ari Safitri Asri Widowati Bintang Tanjung Sari Christanty Wahyu Septyaningrum Cindy Candrika Anugrahayu Crys Fajar Partana Crys Fajar Partana Denny Hadya Khoirulfatihin Diandari Siti Nur Ichsani Dina Dina Dina Dina, Dina Dwi Anggi Marini Dyah Purwaningsih, Sugi Rahayu Pujianto Erna Warisman Hari Sutrisno Harno Dwi Pranowo Harno Dwi Pranowo Hasan Adidarma Herlambang Nugroho Isti Yunita Jaslin Ikhsan Jati, Andreas Ary Chrisna Khoiriyah Lukman, Laila Kristanti Eka Wulandari Kristian Handoyo Sugiyarto Kristiyan Handoyo Sugiyarto Kun Sri Budiasih Misbah Rijal Ulhaq Mudasir Mudasir Mudasir Mudasir Noviyan Darmawan Nur Azizah Sri . Handayani Sri Handayani Sukisman Purtadi Vatrika Anggriana Putri Yunita, Isti Yusuf Bramastya Apriliyanto Yuzzaini Dwi Kurniawati