A5086036367- Perovskite Materials and Applications
- Thermal Expansion and Ionic Conductivity
- Solid-state spectroscopy and crystallography
- Geological and Geophysical Studies
- Engineering and Technology Innovations
- Heusler alloys: electronic and magnetic properties
- Optical properties and cooling technologies in crystalline materials
- Inorganic Chemistry and Materials
- Chalcogenide Semiconductor Thin Films
- Quantum, superfluid, helium dynamics
- Natural Products and Applications
- Advanced Chemical Physics Studies
- Cold Atom Physics and Bose-Einstein Condensates
- Geotechnical and construction materials studies
- X-ray Diffraction in Crystallography
- Atomic and Molecular Physics
- Advanced Thermoelectric Materials and Devices
- Graphene and Nanomaterials Applications
- Carbon and Quantum Dots Applications
- 2D Materials and Applications
- Material Selection and Properties
- Microwave Dielectric Ceramics Synthesis
- Nuclear Materials and Properties
- Glass properties and applications
- IoT-based Control Systems
University of Nusa Cendana
2016-2024
The University of Melbourne
2017-2023
In the present study, Density Functional Theory (DFT) was employed to computationally investigate potential application of newly developed lead-free perovskites with formula TlSnX
This study reports for the first time theoretical prediction of structural, electronic, elastic and optical properties cubic BaLiCl3, BaLiBr3, BaLiI3 perovskites. The corresponding well-known BaLiF3 are also theoretically investigated. Density Functional Theory (DFT) using Generalized Gradient Approximation (GGA) was implemented within Quantum Espresso package to investigate results revealed that BaLiX3 (X = F, Cl, Br, I) in ionic crystal forms with optimized lattice parameters 4.04, 4.90,...
Abstract This study aims to explore for the first time mechanical, electronic, optical and thermoelectric properties of cubic lead-free perovskites InSnBr 3 InSnI investigate their potential applications in solar cell devices. Additionally, previously examined InSnCl perovskite is also included. The were determined using first-principles calculation based on well-known Density Functional Theory (DFT) with Generalized Gradient Approximation (GGA) functional implemented Quantum Espresso...
Abstract The present study examines the key characteristics of new vacancy-ordered halide double perovskites, RbKGeCl 6 and RbKGeBr , encompassing elastic, structural, mechanical, optoelectronic, thermoelectric properties. Density Functional Theory (DFT) was employed to perform calculation properties, facilitating evaluation their potential applications in optoelectronic devices. DFT conducted using Quantum Espresso package alongside thermo_pw tool BoltzTraP codes. results revealed that two...
Abstract Studies on bio-organic materials for optoelectronic devices have increased recently, mainly due to the low cost of materials. Electrical properties are important review whether a material is suitable applications. The energy gap an parameter investigate electrical materials, and therefore, band value has be determined accurately. semiconductor can calculated from its absorption spectrum using Tauc plot method. In this article, we designed software based method (Taucplot4dotz) ran...
Abstract Halide perovskite materials have recently gained worldwide attention since they offer a new cost-effective way to generate renewable and green energy. In the current work, structural, electrical, elastic, optical thermoelectric properties of perovskites CsInZrX 6 (I, Cl Br) were explored by density-functional theory (DFT). The results indicated that computed lattice parameters agree really well with experimental theoretical results. Moreover, band structure profile strongly suggests...
The ABX3 perovskite materials have recently emerged as one of the most promising for optoelectronic applications. In present study, novel perovskites in form InZnCl3 and InCdCl3 are computationally investigated to determine their key characteristics, including structural, mechanical, electronic, optical characteristics. These characteristics were evaluated using density functional theory (DFT) implemented quantum espresso code. results indicated that both exhibit chemical, dynamic,...