Theoretical investigation of structural and mechanical stability, electronic, optical, and transport behaviour of double halide perovskites K2GaBiX6 (X= Cl, Br, and I) for …
M Shakil, S Maqsood, I Siddiqui, K Parveez… - Computational …, 2024 - Elsevier
In this work, double perovskites K 2 GaBiX 6 (X= Cl, Br, and I) are studied using density
functional theory (DFT). Physical properties are calculated after confirming the structural …
functional theory (DFT). Physical properties are calculated after confirming the structural …
First-principles investigation of Rb2NaXCl6 (X= In, Tl) compounds for energy harvesting applications
A Masoud, S Sarfraz, M Yaseen, SA Aldaghfag… - Journal of Physics and …, 2025 - Elsevier
Lead free halide double perovskites (HDPs) have attracted significant interest of the
scientific community owing to their better stability, low cost, and eco-friendly nature, and high …
scientific community owing to their better stability, low cost, and eco-friendly nature, and high …
Rational and green functionalization of B, N-C60 by DNA bases devised as incredible electron transport compounds for perovskite photovoltaic devices
Z Shariatinia, M Kurban - Materials Today Communications, 2024 - Elsevier
Environmentally benign materials were devised to be employed as excellent electron
transporting layers (ETLs) in perovskite solar cell (PSC) devices. They were based on B, NC …
transporting layers (ETLs) in perovskite solar cell (PSC) devices. They were based on B, NC …
Investigation of semiconductor to metallic transitions of perovskite CsGeCl3 material through induced pressure: a DFT calculation for photovoltaic and optoelectronic …
First-principle investigations explore materials science for functional purposes. The physical
properties of CsGeCl 3 are investigated under pressure in steps of 1.0 GPa. The CASTEP …
properties of CsGeCl 3 are investigated under pressure in steps of 1.0 GPa. The CASTEP …
First-principle investigation of lead-free double perovskites Cs2MScCl6 (M= Na, K) for optoelectronic and thermoelectric applications
Double perovskite optoelectronic devices are gaining popularity due to their advantageous
features, such as an efficient and easy-to-manage crystalline structure. In this study, we …
features, such as an efficient and easy-to-manage crystalline structure. In this study, we …
Band gap and optical property modulation under pressure in vacancy-ordered double perovskite Cs2SeCl6
This paper presents a comprehensive study on the effect of pressure on the structural,
elastic, electronic, thermoelectric, and optical properties of vacancy ordered double …
elastic, electronic, thermoelectric, and optical properties of vacancy ordered double …
Dft Study on Narrow Band Gap Double Perovskites M2sbaucl6 (M= Cs, K, Rb) for Optoelectronic and Thermoelectric Applications
E Nandhakumar, A Alodhayb, KE Alzahrani… - papers.ssrn.com
In the present study, we studied the structural, mechanical, optoelectronic and transport
properties of lead-free narrow band gap double perovskites M2SbAuCl6 (M= Cs, K, Rb) with …
properties of lead-free narrow band gap double perovskites M2SbAuCl6 (M= Cs, K, Rb) with …