423 citations · 690 across the 5 of their papers we have counts for
5 papers
Combined DFT, SCAPS-1D, and wxAMPS frameworks for design optimization of efficient Cs2BiAgI6-based perovskite solar cells with different charge transport layers
M. Khalid Hossain, A. A. Arnab, Ranjit C. Das +7
In this study, combined DFT, SCAPS-1D, and wxAMPS frameworks are used to investigate the optimized designs of Cs2BiAgI6 double perovskite-based solar cells. The first-principle cal…
First-principles calculations to investigate structural, elastic, electronic, thermodynamic, and thermoelectric properties of CaPdBO (B = Ti, V) perovskite
M. H. K. Rubel, M. A. Hossain, M. Khalid Hossain +6
This study has explored numerous physical properties of CaPdTiO2 (CPTO) and CaPdVO (CPVO) quadruple perovskites employing the density functional theory…
A comprehensive first principles calculations on (Ba0.82K0.18)(Bi0.53Pb0.47)O3 single-cubic-perovskite superconductor
Mirza H. K. Rubel, Sujon Kumar Mitro, Khandaker Monower Hossain +7
In this present study, the pseudopotential plane-wave (PP-PW) pathway in the scheme of density functional theory (DFT) is utilized to investigate the various physical properties on…
A comparative theoretical study on physical properties of synthesized AVO3 (A = Ba, Sr, Ca, Pb) perovskites
Khandaker Monower Hossain, Mirza H. K. Rubel, M. M. Rahaman +5
In this paper, we employ CASTEP based on DFT (density functional theory) calculations to investigate various physical properties of BaVO3, SrVO3, CaVO3 and PbVO3. The elastic const…
An ab-initio study on physical properties of Pd2+ incorporated double perovskites CaPd3B4O12 (B = Ti, V)
Mirza H. K. Rubel, Khandaker Monower Hossain, Anjuman Ara Khatun +8
Numerous physical properties of CaPd3Ti4O12 (CPTO) and CaPd3V4O12 (CPVO) double perovskites have been explored based on density functional theory (DFT). The calculated structural p…