First-Principles Calculations of Novel Lead-Free X2GeSnI6 (X = Rb, Cs) Double Perovskite Compounds for Optoelectronic and Energy Exploitations
We investigate the structural, optoelectronic, and thermoelectric properties of halide double
perovskite X2GeSnI6 (X= Rb, Cs) compounds employing the full potential linearized …
perovskite X2GeSnI6 (X= Rb, Cs) compounds employing the full potential linearized …
Modeling and simulation of multifaceted properties of X2NaIO6 (X = Ca and Sr) double perovskite oxides for advanced technological applications
Context In this study, the authors have investigated the structural, optoelectronic,
thermoelectric, and thermodynamic properties of Ca2NaIO6 and Sr2NaIO6 double …
thermoelectric, and thermodynamic properties of Ca2NaIO6 and Sr2NaIO6 double …
First-principles study on the optoelectronic and mechanical properties of lead-free semiconductor silicon perovskites ASiBr3 (A= K, Rb, Cs)
D Abdullah, DC Gupta - ECS Journal of Solid State Science and …, 2024 - iopscience.iop.org
We deployed density functional theory to assess the structural, electronic, elastic, and optical
properties of ASiBr 3 (A= K, Rb, and Cs). KSiBr 3, RbSiBr 3, and CsSiBr 3 band structure …
properties of ASiBr 3 (A= K, Rb, and Cs). KSiBr 3, RbSiBr 3, and CsSiBr 3 band structure …
Insight into the structural, elastic, phonon dispersions, and optoelectronic properties of Cs2YXCl6 (X= In, Tl) double perovskites for solar cells and energy conversion …
Due to their lack of lead, stability, and outstanding performance, double perovskites have
emerged as a prominent subject of study in solar cell research. Thus, we present an analysis …
emerged as a prominent subject of study in solar cell research. Thus, we present an analysis …
Investigating the potential of triclinic ABSe3 (A = Li, Na, K, Rb, Cs; B = Si, Ge, Sn) perovskites as a new class of lead-free photovoltaic materials
In recent years, chalcogenide perovskites have emerged as promising candidates with
favorable structural, electrical, and optical properties for photovoltaic applications. This …
favorable structural, electrical, and optical properties for photovoltaic applications. This …
Exploring the potential of inorganic cubic halide perovskites RbSrM3 (M= Cl, Br) for advanced optoelectronic applications: A DFT study
Halide perovskites, being a large family attained researchers focus for multiple targets
because of their outstanding properties and flexible chemistry. In this study, density …
because of their outstanding properties and flexible chemistry. In this study, density …
Investigation of Structural, Electronic, Optical, and Elastic Properties of Ru-Based Inorganic Halide Perovskites ARuBr3 (A = K, Rb, Cs) via DFT Computations
D Abdullah, DC Gupta - Arabian Journal for Science and Engineering, 2024 - Springer
We are prompted to examine KRuBr3, RbRuBr3, and CsRuBr3 materials since they are
novel and superior semiconductor materials for sustainable energy devices. In this …
novel and superior semiconductor materials for sustainable energy devices. In this …
[HTML][HTML] Novel Tl2GeX6 (X= Cl, Br) double perovskites for solar cell, optoelectronic, and thermoelectric applications: A DFT investigation
This study aims to investigate the structural, mechanical, optical, electronic, and
thermoelectric properties of novel double perovskites Tl 2 GeCl 6 and Tl 2 GeBr 6. The …
thermoelectric properties of novel double perovskites Tl 2 GeCl 6 and Tl 2 GeBr 6. The …
First-principles evaluation of lead-free X2NaIO6 (X= Sr, Ba) Double-Perovskite: for optoelectronic and solar cell applications
The standard lead-free double perovskite X 2 NaIO 6 has become a viable alternative for
lead-based perovskites due to its remarkable optoelectronic capabilities, high stability, non …
lead-based perovskites due to its remarkable optoelectronic capabilities, high stability, non …
Unveiling the potential of GaPbI3 perovskite: structural, mechanical, and optoelectronic insights for next-generation solar cells
This study aims to design and analyze GaPbI 3-based perovskite solar cells with different
efficacious buffer layers using DFT calculations and SCAPS-1D simulations. Initially, DFT …
efficacious buffer layers using DFT calculations and SCAPS-1D simulations. Initially, DFT …