A5081415829- Perovskite Materials and Applications
- Thermal Expansion and Ionic Conductivity
- Magnetic and transport properties of perovskites and related materials
- Solid-state spectroscopy and crystallography
- Ferroelectric and Piezoelectric Materials
- Electronic and Structural Properties of Oxides
- Heusler alloys: electronic and magnetic properties
- MXene and MAX Phase Materials
- Advanced Condensed Matter Physics
- ZnO doping and properties
- Microwave Dielectric Ceramics Synthesis
- Chalcogenide Semiconductor Thin Films
- Physics of Superconductivity and Magnetism
- Inorganic Chemistry and Materials
- Multiferroics and related materials
- Boron and Carbon Nanomaterials Research
- Superconductivity in MgB2 and Alloys
- Quantum Dots Synthesis And Properties
- 2D Materials and Applications
- Livestock Management and Performance Improvement
- Intermetallics and Advanced Alloy Properties
- Rare-earth and actinide compounds
- Crystal Structures and Properties
- ATP Synthase and ATPases Research
- Pharmaceutical and Antibiotic Environmental Impacts
University of Rajshahi
2013-2024
University of Yamanashi
2020-2022
University of Nevada, Reno
2022
International Islamic University Chittagong
2021
Gopalganj Science and Technology University
2021
Pabna University of Science and Technology
2021
Animal Husbandry & Veterinary
2016
Tokyo University of Science
2011
In this study, combined DFT, SCAPS-1D, and wxAMPS frameworks are used to investigate the optimized designs of Cs
The power conversion efficiency (PCE) of cesium lead halide (CsPbX3, X = l, Br, and Cl)-based all-inorganic perovskite solar cells (PSCs) is still struggling to compete with conventional organic–inorganic perovskites. A combined material device-related analysis much needed understand the working principle explore potential CsPbX3-based PSCs. Therefore, here, density functional theory (DFT) SCAPS-1D-based studies were reported evaluate photovoltaic (PV) performance CsPbBr3-based DFT first...
This study has explored numerous physical properties of CaPd$_3$Ti$_4$O$_{1}$2 (CPTO) and CaPd$_3$V$_4$O$_{12}$ (CPVO) quadruple perovskites employing the density functional theory (DFT) method. The mechanical permanence these two compounds was observed by Born stability criteria as well. band structure CPTO reveals a 0.88 0.46 eV direct narrow gap while using GGA-mBJ GGA-PBE potentials, respectively, which is an indication its fascinating semiconducting nature. calculated partial states...
The current study diligently analyzes the physical characteristics of halide perovskites AGeF
Inorganic, non-toxic metal halide perovskites are the benchmark for optoelectronic device commercialization. Due to their significant importance, density functional theory-based ab initio method was engaged study fundamental physical properties of TlBX3 (B = Ge, Sn; X Cl, Br, I). The studied lattice constants and volume different from chosen systems, crystal stability is also justified in particular. Among six compounds, Sn-based compounds show lower band gaps than Ge-based where I at site...
The structural, mechanical, and electronic properties of perovskite molybdates are a topic frequent study in materials science. In this study, the influence Mg doping on physical metallurgy is investigated using first-principles calculations based density functional theory (DFT) molecular dynamics (MD) simulation. Our calculated optimized lattice parameters (3.9945, 3.8964, 3.8634, 3.8440, 3.7952 Å [mentioned only DFT data, MD data listed Table 2] for x = 0, 0.1, 0.2, 0.3, 0.4 respectively)...
Perovskite halides are the most promising current candidates for construction of solar cells and other photovoltaic devices. This is first theoretical approach to explore effects Mn-doping on optoelectronic performance lead-free halide CsGeBr3 lead-bearing CsPbBr3. We have performed first-principles calculations investigate structural, mechanical, electronic, optical properties pure Mn-doped CsPbBr3 perovskite in detail. The lattice constants were slightly reduced compared their phases,...
Density functional theory is utilized to explore the effects of hydrostatic pressure on structural, electrical, optical, and mechanical properties cubic halide perovskite KCaCl3 throughout this study. The interatomic distance decreased due effect, which dramatically lowers lattice constant unit cell volume perovskite. Under pressure, electronic band gap shrinks from ultra-violet visible region, making it easier move electrons valence conduction band, improves optoelectronic device...
The effects of alkaline-earth metals on electronic, optical, thermodynamic, and physical properties ferromagnetic AVO3 (A = Ba, Sr, Ca, Mg) have been investigated by first-principles calculations within the GGA+U formalism based density functional theory. optimized structural parameters are in good agreement with available experimental results that evaluate reliability our calculations. cell mechanical stability is discussed using formation energy Born criteria, respectively. behaviors basis...
This article investigates the physical properties of lead-free tin- and germanium-based halide perovskites under pressure via density functional theory to use as potential photovoltaic materials. Specifically, structural, electronic, optical, mechanical KMCl3 (M = Ge, Sn) diverse hydrostatic pressures ranging from 0 8 GPa are examined vindicate compounds' superiority for useful applications. The structures show high precision in terms lattice constants, which approves formerly published...
Intending to advance the use of halide-perovskites in technological applications, this research, we investigate structural, electronic, optical, and mechanical behavior metal-halide perovskites ACaCl3 (A = Cs, Tl) through first-principle analysis assess their potential applications. Due applied hydrostatic pressure, interaction between constituent atoms increases, thereby causing lattice parameter decrease. The band structure reveals that gap nature transits from indirect direct at elevated...
Density functional theory (DFT) based first-principles calculations using GGA+U method have been performed for the first time to investigate elastic, electronic, optical, thermodynamic properties including charge density, Fermi surface, Mulliken population analysis, and theoretical Vickers hardness of newly synthesized LiCuBiO4 (LCBO) compound. The calculated structural parameters are in good agreement with available experimental results, which assessed reliability our calculations. analysis...
Multidrug-resistant (MDR) foodborne pathogens have created a great challenge to the supply and consumption of safe & healthy animal-source foods. The study was conducted identify common from foods by-products with their antimicrobial drug susceptibility resistance gene profile. Escherichia coli (E. coli), Salmonella, Streptococcus, Staphylococcus, Campylobacter species were identified in livestock poultry food products. prevalence found higher by-product compared (p < 0.05). results revealed...
In this study, lead-free BiM2+(Zn, Ca, Mg)Ti–BiFeO3 ceramics are fabricated under eco-friendly hydrothermal reaction conditions at 250 °C. XRD patterns show that all the synthesized compounds exhibit a phase coexistence of monoclinic and tetragonal perovskite-type structures with morphotropic boundary x = 0.4, minimum impurity. The calculated average crystallite/grain size samples was close to 50 nm full width half-maximum main peak. corresponding bonds constituent elements were observed by...