Article Per Year (5 Year)
p-Index From 2020 - 2025
0.61
P-Index
This Author published in this journals
All Journal Journal of Technomaterial Physics EINSTEIN (E-JOURNAL)
Sagala, Junaina Sahputri
Unknown Affiliation
Astronomy Civil Engineering, Building, Construction & Architecture Control & Systems Engineering Earth & Planetary Sciences Electrical & Electronics Engineering Energy Materials Science & Nanotechnology Mechanical Engineering Physics

Published : 3 Documents Claim Missing Document
Claim Missing Document
Check
Articles

Found 3 Documents
Search

 1 
An In-depth Study of Relation Between Band Gap Energy and Lattice Constant for Cubic Phase LiSnX3 (X = F, Cl, Br, and I) Perosvkite Ong, Russell; Sagala, Junaina Sahputri; Rahayu, Siti Utari
Journal of Technomaterial Physics Vol. 7 No. 1 (2025): Journal of Technomaterial Physics
Publisher : Talenta Publisher

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.32734/jotp.v7i1.19772

Abstract

Organic perovskites or inorganic perovskites are very popular among researchers who are designing the most efficient perovskite solar cells. Besides, they can be used as materials for other optoelectronic applications, such as light-emitting diodes. In this paper, we reported the results of studies on the electronic property of LiSnX3 (X = F, Cl, Br, or I) perovskite in the cubic phase. This electronic property is the density of states, which one can determine the band gap energy value. These studies were undertaken to understand the relation between their band gap energy and lattice constant through anion X variations. The Quantum ESPRESSO program calculated These two crucial quantities with norm-conserving Troullier-Martins pseudopotentials and Generalized Gradient Approximation Perdew-Burke-Enzerhof exchange-correlation functional. The computation results show that the band gap energy ranged from 0,3 eV to 0,99 eV while the lattice constant ranged from 6,183 Å to 4,625 Å for anion halide from I till F, respectively. The contrast trend between these quantities' values matches the Kronig-Penney Model.
CALCULATION OF ELECTRONIC PROPERTIES OF LiBX3 (B = Pb AND Sn; X = Br, Cl AND I) CUBIC PHASE BY DENSITY FUNCTIONAL THEORY Sagala, Junaina Sahputri; Sirait, Ratni; Ong, Russell
EINSTEIN (e-Journal) Vol. 12 No. 3 (2024): EINSTEIN (e-Journal)
Publisher : Universitas Negeri Medan

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24114/ein.v12i3.61583

Abstract

Perovskite solar cells utilize perovskite as the active material to convert sunlight into electrical energy. Perovskite is a compound with a crystal structure of ABX₃, where A and B are cations, and X is an anion, usually a halide. Research continues to find perovskites with high efficiency. This efficiency is related to the electronic structure, which can be analyzed using Density Functional Theory (DFT). In this study, the electronic structure of cubic phase LiBX₃ perovskites (B = Pb and Sn; X = Br, Cl, and I) is investigated using Quantum ESPRESSO software. Various parameters such as cut-off energy, k-points, and lattice constants were modified to obtain optimal values. From the optimization results, the band gap, DOS, and PDOS values for the six perovskites were obtained. The resulting band gap energy (Eg) are LiPbBr₃ at 1,71 eV, LiPbCl₃ at 1,87 eV, LiPbI₃ at 1,43 eV, LiSnBr₃ at 0,51 eV, LiSnCl₃ at 0,65 eV, and LiSnI₃ at 0,28 eV. These results show that the band gap energy values increase with the change in atomic radius from Sn to Pb and decrease with the change in atomic radius from Cl, Br to I. The electronic structure calculations of LiBX₃ (B = Pb and Sn; X = Br, Cl, and I) show semiconductor properties that have the potential to be used as light-absorbing materials in perovskite solar cells. This study states that LiBX₃ has great potential in solar cell applications and offers a deep understanding of the relationship between crystal structure and its electronic properties.
CALCULATION OF ELECTRONIC PROPERTIES AND MECHANICAL PROPERTIES OF CUBIC PHASE CH3NH(3)PbCl3 USING DENSITY FUNCTIONAL METHOD Ong, Russell; Sagala, Junaina Sahputri
EINSTEIN (e-Journal) Vol. 13 No. 1 (2025): EINSTEIN (e-Journal)
Publisher : Universitas Negeri Medan

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24114/eins.v13i1.63453

Abstract

Organic-inorganic hybrid halide perovskite-based solar cells such as CH3NH3PbCl3 are known to have many advantages such as low price, simple preparation process and high photoelectric conversion rate. Therefore, we performed theoretical calculations to determine the electronic properties and mechanical properties of CH3NH(3)PbCl3material with space group p3m3 with bulk system in this study. Both properties are calculated by the Density Functional Theory (DFT) method through Quantum ESPRESSO software. The electronic properties discussed include electronic band structure, density of states (DOS) curve, and projected density of state s (PDOS) curve, while the mechanical properties include elasticity constant (Cij), limb modulus (B), Young's modulus (E), shear modulus (G), and Poisson's ratio (ʋ). To determine these properties, the optimum lattice constant must be achieved through optimization of k-points and cut-off kinetic energy. The results show that the value of the lattice gap is 2.49 eV, and C11, C21, C44, limbal modulus, Young's modulus, shear modulus, and Poisson's ratio are 143.83 GPa, 21.22 GPa, 28.24 GPa, 62.09 GPa, 101.75 GPa, 41.47 GPa, and 0.23 GPa, respectively. This shows that the cubic phase CH3NH3PbCl3 waste material is mechanically stable which also has great potential as a perovskite semiconductor material.
Co-Authors Ong, Russell Rahayu, Siti Utari Ratni Sirait, Ratni