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Structural, Electronic, Elastic, and Optical Properties of Cubic BaLiX3 (X = F, Cl, Br, or I) Perovskites: An Ab-initio DFT Study Redi Kristian Pingak; Soukaina Bouhmaidi; Larbi Setti; Bartholomeus Pasangka; Bernandus Bernandus; Hadi Imam Sutaji; Fidelis Nitti; Meksianis Zadrak Ndii
Indonesian Journal of Chemistry Vol 23, No 3 (2023)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.83261

Abstract

This study reports for the first time the theoretical prediction of structural, electronic, elastic and optical properties of cubic BaLiCl3, BaLiBr3, and BaLiI3 perovskites. The corresponding properties of the well-known BaLiF3 are also theoretically investigated. Density Functional Theory (DFT) using the Generalized Gradient Approximation (GGA) was implemented within the Quantum Espresso package to investigate the properties of the perovskites. The results revealed that BaLiX3 (X = F, Cl, Br, and I) are in ionic crystal forms with optimized lattice parameters of 4.04, 4.90, 5.21, and 5.66 Å, respectively. The minor band gaps were found to be 6.62 eV (Γ→Γ), 4.29 eV (R→Γ), 3.50 eV (R→Γ), and 2.58 eV (R→Γ) for the respective compounds. The investigation of their elastic properties indicated that these perovskites are all mechanically stable, while only BaLiBr3 and BaLiI3 are malleable. Finally, the studied perovskites exhibit excellent optical properties, including low reflectivity and high absorption in the ultraviolet region. Hence, it is predicted that these perovskites are suitable for various optoelectronic applications involving absorption in the UV region. However, BaLiBr3 and BaLiI3 are more favorable than BaLiF3 and BaLiCl3 to be deposited as thin films due to their flexibility.
IDENTIFIKASI KANDUNGAN CaCO3 DALAM BATUAN KAPUR DI DESA MANULAI I MENGGUNAKAN METODE XRF DAN XRD Kristantia Mida Subah; Redi Kristian Pingak; Minsyahril Bukit; Albert Zicko Johannes
Jurnal Fisika : Fisika Sains dan Aplikasinya Vol 8 No 1 (2023): Jurnal Fisika : Fisika Sains dan Aplikasinya
Publisher : Universitas Nusa Cendana

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35508/fisa.v8i1.11825

Abstract

This study aims to determine the compounds contained in limestone, identify the content and crystal phase of CaCO3 in limestone and determine the effect of heating temperature on the CaCO3 crystal phase in limestone using XRF and XRD methods. XRF test results show that the compounds contained in limestone in Manulai I village are CaO, Nb2O5, Cr2O3, MoO3, In2O3, SnO2, Sb2O3, RuO4, dan Na2O and XRD test results showed that the crystal phase of CaCO3 at a temperature of 5500C to 7500C was in the form of calcite. In limestone calcined at different temperatures, the intensity increases, this can be interpreted that the higher the calcination temperature, the higher the crystallinity.
Penentuan Tingkat-Tingkat Energi Vibrasi Molekul Hidrogen Pada Keadaan Elektronik Dasar Menggunakan Potensial Morse Redi Kristian Pingak; Albert Zicko Johannes
Wahana Fisika Vol 5, No 1 (2020): June
Publisher : Universitas Pendidikan Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.17509/wafi.v5i1.18614

Abstract

Pendekatan Born-Oppenheimer diterapkan untuk menghitung tingkat energi vibrasi keadaan dasar molekul hidrogen. Persamaan Schrodinger untuk inti atom diselesaikan dengan menggunakan metode semi-klasik, di mana inti atom diasumsikan bergerak secara klasik dalam sumur potensial dan energi vibrasi ditentukan dengan menerapkan aturan kuantisasi kuantum. Potensial yang digunakan pada penelitian adalah potensial Morse. Dalam penelitian ini, tingkat energi vibrasi dihitung dengan metode numerik, yaitu metode integrasi Simpson dan metode regula falsi. 15 Tingkat energi vibrasi dari molekul H2 diperoleh dan dibandingkan dengan data hasil eksperimen. Perbandingan ini mengindikasikan pendekatan yang digunakan pada penelitian ini memberikan hasil yang sangat akurat pada tingkat energi vibrasi yang relatif rendah (0≤n≤4), dengan kesalahan kurang dari 0,7%, dan untuk 5≤n≤8 dengan kesalahan maksimum 7,3%. Keakuratan menurun ketika tingkat energi vibrasi meningkat. Secara khusus, untuk n = 13 dan n = 14, kesalahan meningkat secara signifikan, menunjukkan gagalnya pendekatan ini untuk tingkat energi vibrasi yang relatif tinggi, khususnya untuk dua tingkat energi ini. Born-Oppenheimer approximation was applied to calculate vibrational energy levels of ground state of Hydrogen molecule. The Schrodinger equation for the nuclei was solved using a semi-classical method, in which the nuclei are assumed to move classically in a potential well and the vibrational energies are determined by applying the quantum mechanical quantization rules. Potential used in this research was the Morse potential. Here, vibrational energy levels of the molecule were calculated using numerical methods, i.e. Simpson integration method and false position method. 15 Vibrational energy levels of the H2 molecule were obtained and compared to the corresponding results from experiments. The comparison indicated that the approximation used in this research yielded very accurate results for relatively low vibrational levels (0≤n≤4), with errors being less than 0.7% and for 5≤n≤8 with maximum of 7.3% errors. The accuracy decreased as the vibrational levels increased, as expected. In particular, for n=13 and n=14, errors significantly increased, indicating the breakdown of the approximation for relatively high vibrational levels, in particular for these two energy levels.           Keywords: Hydrogen Molecule; Morse Potential; Born-Oppenheimer Approximation; Simpson Method; False Position Method
Uji Stabilitas Polymer Inclusion Membrane dari Polimer Pendukung PVC, Ekstraktan D2EHPA, dan Plasticizer Asam Oleat pada Kondisi Asam Rensini, William Antoni; Kadang, Luther; Lapailaka, Titus; Naat, Johnson Nune; Pingak, Redi Kristian; Kapitan, Origenes Boy; Nitti, Fidelis
Jurnal Beta Kimia Vol 4 No 1 (2024): Volume 4, Nomor 1: Mei 2024
Publisher : Universitas Nusa Cendana

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35508/jbk.v4i1.15351

Abstract

Polymer Inclusion Membrane (PIM) merupakan membran cair generasi terbaru untuk pemisahan berbagai jenis komponen kimia organik dan anorganik. Stabilitas PIM merupakan faktor yang sangat penting untuk efektivitas pemisahan yang berkelanjutan. Penelitian ini dilakukan untuk menyelidiki kestabilan PIM yang dibuat dari PVC sebagai polimer pendukung, D2EHPA sebagai ekstraktan, dan asam oleat (AO) sebagai plasticizer dalam HCl 2,5 M. Hasil penelitian menunjukkan komposisi PIM optimum adalah 50% PVC, 40% D2EHPA, dan 10% AO yang menunjukkan karakteristik fisik yang ideal seperti tipis, transparan, fleksibel dengan permukaan yang tidak berminyak. Hasil penelitian menunjukkan penurunan berat PIM yang direndam dalam HCl 2,5 M lebih kecil dibandingkan dengan penurunan berat PIM yang direndam dalam air selama 7 hari. Hasil ini menunjukkan bahwa PIM lebih stabil dalam kondisi asam dibandingkan dalam air (netral). Perbandingan karakteristik kimia PIM sebelum dan setelah uji stabilitas menunjukkan PIM yang direndam dalam air mengalami kehilangan fase cair selama proses uji stabilitas. Perbedaan ini terkonfirmasi melalui perbedaan karakteristik fisika PIM sebelum dan sesudah uji stabilitas. Secara keseluruhan, PIM dengan komposisi optimum 50% PVC, 40% D2EHPA, dan 10% AO disarankan untuk digunakan dalam pemisahan pada kondisi asam untuk mempertahankan stabilitas dan efisiensi pemisahannya.
Approximate Solution to the Schrödinger Equation of Exotic Doubly Muonic Helium-like Systems Using Hydrogenic-based Matrix Mechanics Pingak, Redi Kristian; Jacob, Johanes Eliaser; Bernandus, Bernandus; Johannes, Albert Zicko; Setiawan, Ely
Molekul Vol 19 No 1 (2024)
Publisher : Universitas Jenderal Soedirman

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20884/1.jm.2024.19.1.11224

Abstract

The approximate solution to the Schrödinger equation of exotic doubly muonic helium-like systems has been obtained using a simple matrix method based on hydrogenic s-states. Each system considered consists of a positively charged nucleus surrounded by 2 negatively charged muons XZ+μ-μ- (2 Z 36). The present work aims to obtain approximate ground-state energies of the systems and to decompose the energies in terms of the basis states used. Here, the wave function was expressed as a linear combination of 15 eigenfunctions, each written as the product of two hydrogenic s-states. The elements of the Hamiltonian matrix were calculated and finally, the energy eigenvalue equation was numerically solved to obtain the ground-state energies of the systems with their corresponding eigenvectors. From the results, ground-state energies of all systems were in agreement with others from the literature, with percentage differences between 0.03% and 2.05%. The analysis of the probability amplitudes from the eigenvectors showed that the 1s1s state made the largest contribution to the ground state energies of the systems, approaching 90.99%, 96.98% and 98.54% for He2+μ-μ- , Li3+μ-μ- , and Be4+μ-μ- , respectively. Keywords: Doubly muonic helium-like systems, ground state energy, hydrogenic basis states, matrix mechanics, Schrödinger equation
STABILITAS POLYMER INCLUSION MEMBRANE DARI POLIMER PENDUKUNG PVC DAN EKSTRAKTAN D2EHPA DALAM ASAM KLORIDA Modhe, Katarina; Ledoh, Sherlly M. F.; Lapailaka, Titus; Kadang, Luther; Naat, Johnson N.; Pingak, Redi K.; Kapitan, Origenes B.; Nitti, Fidelis
Jurnal Fisika : Fisika Sains dan Aplikasinya Vol 9 No 1 (2024): Jurnal Fisika : Fisika Sains dan Aplikasinya
Publisher : Universitas Nusa Cendana

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35508/fisa.v9i1.15377

Abstract

Polymer Inclusion Membrane (PIM) merupakan generasi terbaru membran cair yang dirancang khusus untuk pemisahan berbagai jenis komponen kimia organik dan anorganik. Stabilitas PIM menjadi faktor kunci untuk memastikan efektivitasnya dalam proses pemisahan yang berkelanjutan. Penelitian ini bertujuan untuk menginvestigasi kestabilan PIM yang terbuat dari 60% PVC sebagai polimer pendukung dan 40% D2EHPA sebagai ekstraktan dalam larutan uji asam klorida (HCl) 2,5 M. Hasil penelitian PIM dengan komposisi ini menunjukkan karakteristik fisiknya yang ideal seperti tipis, transparan, fleksibel dengan permukaan yang tidak berminyak. Hasil uji stabilitas berturut-turut menunjukkan penurunan berat PIM yang dibiarkan pada udara terbuka, dalam air, dan dalam 2,5 M HCl selama 7 hari sebesar 0,92%; 10,15% dan 4,30%. Trend ini secara umum menunjukkan bahwa PIM dengan komposisi 60% PVC dan 40% D2EHPA memiliki kestabilan yang lebih baik di dalam larutan yang bersifat asam dibandingkan dengan larutan yang bersifat netral. Perbandingan karakteristik spektra FTIR PIM sebelum dan setelah uji stabilitas menunjukkan PIM yang direndam di dalam air mengalami kehilangan sebagian besar ekstraktan D2EHPA selama proses uji stabilitas. Perbedaan karakteristik spektra FTIR PIM sebelum dan setelah uji stabilitas dengan direndam di dalam air ini juga terkonfirmasi melalui perbedaan karakteristik fisika PIM sebelum dan sesudah uji stabilitas yang meliputi water contact angle, water uptake, tensile strength dan % elongation. Secara keseluruhan, hasil penelitian ini mengindikasikan bahwa PIM yang dibuat dengan komposisi PVC 60% dan D2EHPA 40% disarankan untuk digunakan dalam pemisahan pada kondisi asam untuk mempertahankan stabilitas dan efisiensi pemisahannya.
KARAKTERISASI SIFAT OPTIK DAN SINTESIS MATERIAL KARBON NANODOTS DARI KULIT JERUK DENGAN LOGAM TEMBAGA Maunino, Mariani R.; Ngara, Zakarias S.; Pingak, Redi K.; Johannes, Albert Z.
Jurnal Fisika : Fisika Sains dan Aplikasinya Vol 9 No 1 (2024): Jurnal Fisika : Fisika Sains dan Aplikasinya
Publisher : Universitas Nusa Cendana

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35508/fisa.v9i1.15448

Abstract

Karakterisasi karbon nanodots (K-dots) yang difabrikasi dari kulit jeruk asal Kabupaten TTS dan disintesis dengan logam tembaga telah dilakukan dengan tujuan: 1) menganalisis sifat-sifat optik material K-dots dari kulit jeruk, 2) menganalisis spektrum serapan, photoluminesens, dan FTIR K-dots ketika disintesis dengan logam Cu, dan 3) menentukkan nilai Limit Of Detection (LOD) konsentrasi logam Cu yang dapat dideteksi oleh k-dots. K-dots berbasis kulit jeruk di fabrikasi dengan metode annealing, kemudian diikuti dengan proses sonikasi, sentrifugasi dan penyaringan. K-dots ini berpendar dan memancarkan emisi warna biru ketika diradiasi dengan lampu UV 365 nm. Berdasarkan hasil pengukuran data, spektrum serapan K-dots ini memiliki puncak serapan pada panjang gelombang 260 nm dengan jangkauan daerah panjang gelombang dari 249 nm sampai 349 nm. Ketika dieksitasi pada panjang gelombang 340, jangkauan spektrum photoluminesens dari K-dots 360 sampai 600 nm dengan puncak photoluminesens adalah 402 nm yang sesuai dengan pancaran warna birunya. K-dots memiliki photostabilitas yang tinggi. Pada konsentrasi 1,5 mg/mL, nilai celah energi material K-dots yang diperoleh dalam penelitian ini adalah 3,35 eV dan bersifat direct. Adanya ikatan O-H dan C=O pada spektrum FTIR K-dots mengindikasikan bahwa permukaan K-dots dilapisi (ditutup) oleh gugus hidorxyl dan karbonil sehingga K-dots memiliki kelarutan yang baik dalam air. Nilai LOD adalah 0,74 . Ketika K-dots disintesis dengan logam tembaga intensitas fluoresensnya melemah. Hal ini menunjukkan bahwa K-dots dapat diaplikasikan sebagai sensor terhadap logam tembaga
Approximate Analytical Solution of the Ground State Problem of He and He-like Ions using Symmetrized-Hydrogenic States Pingak, Redi Kristian
POSITRON Vol 14, No 1 (2024): Vol. 14 No. 1 Edition
Publisher : Fakultas Matematika dan Ilmu Pengetahuan Alam, Univetsitas Tanjungpura

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.26418/positron.v14i1.75417

Abstract

The matrix method using three symmetrized-hydrogenic basis states has been applied to analytically obtain an approximate solution to the Schrödinger equation of the Helium atom and some He-like ions (2Z10). This study aims at obtaining more accurate ground state energies of the systems compared to our previous calculation using un-symmetrized basis states and some other simple calculations in the literature. The contribution of the symmetrized basis states on the ground state energies of the systems is also investigated. The time-independent Schrödinger equation involving a 3×3 Hamiltonian matrix, formed by hydrogenic s-states, was analytically solved to obtain three energy eigenvalues of the systems as well as their corresponding eigenvectors. Results showed that the 1s2 energies of the systems were more accurate than our previous unsymmetrized basis calculations, with significant error reduction observed for He and Li+. With the same matrix size, the ground state energies of He and He-like ions obtained from three symmetrized basis states in this study were found to be closer to the exact and experimental energies than those obtained from unsymmetrized basis states. It was also demonstrated that the |100;100 state made the largest contribution to the ground state energies of the systems, i.e. about 90.9% for He and around 99.9% for Ne8+, and consequently the smallest contribution came from the other two symmetrized states (less than 1%). To conclude, the calculated ground state energies were more accurate than some other simple calculations reported in the literature.
Design of Sound Level Meter Using Sound Sensor Based on Arduino Uno Lapono, Laura Anastasi Seseragi; Pingak, Redi Kristian
Jurnal ILMU DASAR Vol 19 No 2 (2018)
Publisher : Fakultas Matematika dan Ilmu Pengetahuan Alam Universitas Jember

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (713.205 KB) | DOI: 10.19184/jid.v19i2.7268

Abstract

Sound Level Meter (SLM) is a tool used to measure the noise level for a moment. For improved performance, hence required a measure of noise level capable of displaying result automatically on the computer so that simplify user to observe and measure the noise. In this study, the design system of data acquisition consists of a MAX4466 sound sensor, Arduino UNO microcontroller, and computer to display the measurement result. The measurement results are displayed in the form of data and graphs. The display of software designed using the Delphi 7.0. The process of taking data in the room with a sound intensity of 44.6 dB. The value is the measurement result using the SLM tool, while the measurement results using the sound sensor performed every second during an interval of 30 seconds obtained an average of 44.19 dB. It can be seen that between the two results shows a relatively small difference, so it can be concluded that the design of this system is running well. Keywords: Noise, SLM, Sound sensor, Arduino Uno
DFT Insights into the Structural, Mechanical, Electronic and Optical Properties of Novel InZnCl3 and InCdCl3 Chloro-Perovskites Pingak, Redi Kristian; Ngara, Zakarias Seba; Johannes, Albert Zicko; Bukit, Minsyahril; Tanesib, Jehunias Leonidas; Nitti, Fidelis; Sianturi, Hery Leo; Pasangka, Bartholomeus
Indonesian Journal of Chemistry Vol 24, No 5 (2024)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.94870

Abstract

The ABX3 perovskite materials have recently emerged as one of the most promising materials for optoelectronic applications. In the present study, novel perovskites in the form of InZnCl3 and InCdCl3 are computationally investigated to determine their key characteristics, including structural, mechanical, electronic, and optical characteristics. These characteristics were evaluated using the density functional theory (DFT) implemented in the quantum espresso code. The results indicated that both materials exhibit chemical, dynamic, and mechanical stability. Moreover, these perovskites are predicted to be ductile, rendering them suitable for a broad array of optoelectronic applications, including solar cells. The electronic band structure and the density of states of the materials revealed their characteristics as indirect semiconductors with band gap energy values of 0.96 eV for InZnCl3 and 1.83 eV for InCdCl3 perovskites. The optical properties calculations also unveiled that these perovskites possess strong absorption in the visible-ultraviolet spectrum (up to 106 cm−1) and low reflectivity. The calculated refractive index and extinction coefficient of the compounds were also predicted in this study. These collective findings strongly suggest the potential applications of these novel materials in optoelectronic devices.