Strain effects on flexible perovskite solar cells

H Liang, W Yang, J **
EM Mkawi, SMH Qaid, IS Roqan, Y Al-Hadeethi… - Optical Materials, 2024 - Elsevier
In this study, we successfully doped Germanium sulfide (GeS) particles in methylammonium
lead triiodide (CH 3 NH 3 PbI 3) films to create highly efficient inverted perovskite solar cells …

Unveiling the impact of organic cation passivation on structural and optoelectronic properties of two-dimensional perovskites thin films

IC Ribeiro, PIR Moraes, AFB Bittencourt… - Applied Surface …, 2024 - Elsevier
Several organic cations have been used to passivate perovskite films; however, selecting
the optimal cation remains challenging. In this work, we carried out density functional theory …

Atomic-scale insights in the interplay of chemical composition and chirality in two-dimensional chiral perovskites

GK Inui, R Besse, JE González… - Physical Chemistry …, 2024 - pubs.rsc.org
The incorporation of chiral molecules (A) in materials based on hybrid ABX3 perovskites has
opened new paths to tune the optoelectronic properties of perovskites through the transfer of …

Analysis of the bonding's energy in metal-halide perovskites and brief evaluation of meta-GGA functionals TPSS and revTPSS

JJ Diaz, I Ornelas-Cruz, FJ Cano, S Velumani… - Journal of Materials …, 2024 - Springer
Metal-halide perovskites, known for their remarkable photovoltaic performance and ease of
production, have garnered global attention in material science. Addressing scalability …

Elucidating Black α-CsPbI3 Perovskite Stabilization via PPD Bication-Conjugated Molecule Surface Passivation: Ab Initio Simulations

JE González, JG Danelon, JLF Da Silva… - ACS Applied Materials …, 2024 - ACS Publications
The cubic α-CsPbI3 phase stands out as one of the most promising perovskite compounds
for solar cell applications due to its suitable electronic band gap of 1.7 eV. However, it …

Cubic-to-hexagonal structural phase transition in metal halide compounds: a DFT study

I Ornelas-Cruz, RM dos Santos, JE González… - Journal of Materials …, 2024 - pubs.rsc.org
Transitions to photo-inactive structural phases have impacted the use of metal halide
perovskites as photovoltaic materials. However, the chemical composition allows us to …