Deep Insights into the Coupled Optoelectronic and Photovoltaic Analysis of Lead-Free CsSnI3 Perovskite-Based Solar Cell Using DFT Calculations and SCAPS-1D …
CsSnI3 is considered to be a viable alternative to lead (Pb)-based perovskite solar cells
(PSCs) due to its suitable optoelectronic properties. The photovoltaic (PV) potential of …
(PSCs) due to its suitable optoelectronic properties. The photovoltaic (PV) potential of …
[HTML][HTML] First-principles calculations to investigate structural, elastic, electronic, thermodynamic, and thermoelectric properties of CaPd3B4O12 (B= Ti, V) perovskites
This study has explored numerous physical properties of CaPd 3 Ti 4 O 12 (CPTO) and
CaPd 3 V 4 O 12 (CPVO) quadruple perovskites employing the density functional theory …
CaPd 3 V 4 O 12 (CPVO) quadruple perovskites employing the density functional theory …
Superconducting phases in a remarkable class of metallic ceramics
MA Hadi - Journal of Physics and Chemistry of Solids, 2020 - Elsevier
MAX phases are a large group of nanolaminated carbide and nitride materials of immense
scientific and technological interest. Materials of this class are known as metallic ceramics …
scientific and technological interest. Materials of this class are known as metallic ceramics …
First-principles calculations to investigate physical properties of single-cubic (Ba0. 82K0. 18)(Bi0. 53Pb0. 47) O3 novel perovskite superconductor
In the present study, the pseudopotential plane-wave (PP-PW) pathway in the scheme of
density functional theory (DFT) is utilized to investigate the various unexplored physical …
density functional theory (DFT) is utilized to investigate the various unexplored physical …
Indirect to direct band gap transition through order to disorder transformation of Cs 2 AgBiBr 6 via creating antisite defects for optoelectronic and photovoltaic …
Non-toxic lead free inorganic metal halide cubic double perovskites have drawn a lot of
attention for their commercial use in optoelectronic and photovoltaic devices. Here we have …
attention for their commercial use in optoelectronic and photovoltaic devices. Here we have …
Mechanical behaviors, lattice thermal conductivity and vibrational properties of a new MAX phase Lu2SnC
In this work we examine, via density functional theory (DFT), material properties of the
recently synthesized Lu-based MAX phase Lu 2 SnC and facilitate comparison with the Sn …
recently synthesized Lu-based MAX phase Lu 2 SnC and facilitate comparison with the Sn …
Alkaline-Earth Metal Effects on Physical Properties of Ferromagnetic AVO3 (A = Ba, Sr, Ca, and Mg): Density Functional Theory Insights
MM Rahaman, KM Hossain, MHK Rubel… - ACS …, 2022 - ACS Publications
The effects of alkaline-earth metals on electronic, optical, thermodynamic, and physical
properties of ferromagnetic AVO3 (A= Ba, Sr, Ca, and Mg) have been investigated by first …
properties of ferromagnetic AVO3 (A= Ba, Sr, Ca, and Mg) have been investigated by first …
Frist-principles prediction of elastic, electronic, and thermodynamic properties of high entropy carbide ceramic (TiZrNbTa) C
K Xiong, BW Wang, ZP Sun, W Li, CC Jin, SM Zhang… - Rare Metals, 2022 - Springer
High-entropy carbide ceramics (HECs) have drawn increasing attention as their excellent
mechanical and thermal properties. In this work, the crystal stability, mechanical behavior …
mechanical and thermal properties. In this work, the crystal stability, mechanical behavior …
Effects of Bi and Mn codoping on the physical properties of barium titanate: investigation via DFT method
The current study employs density functional theory to explore the physical properties of Ba
1− x Bi x Ti 1− x Mn x O 3 (x= 0, 0.3, and 0.4). A detailed analysis of structural, electronic …
1− x Bi x Ti 1− x Mn x O 3 (x= 0, 0.3, and 0.4). A detailed analysis of structural, electronic …
[HTML][HTML] Structural, mechanical, thermal, and optical properties of inverse-Heusler alloys Cr2CoZ (Z= Al, In): a first-principles investigation
First-principles explorations were carried out on the structural, mechanical, thermal, and
optical properties of Cr 2 CoZ (Z= Al, In) inverse-Heuslers for the first time using density …
optical properties of Cr 2 CoZ (Z= Al, In) inverse-Heuslers for the first time using density …