Doping strategies for inorganic lead-free halide perovskite solar cells: progress and challenges

S Jiang, M Liu, D Zhao, Y Guo, J Fu, Y Lei… - Physical Chemistry …, 2024 - pubs.rsc.org
In recent years, remarkable advancements have been achieved in the field of halide
perovskite solar cells (PSCs). However, the commercialization of PSCs has been impeded …

Rational design and recent advancements of additives engineering in tin-based perovskite solar cells: Insights from experiments and computational

M Ulfa, FA Permatasari, YB Rus, N Idayanti… - Sustainable Energy & …, 2023 - pubs.rsc.org
Perovskite solar cells (PSCs) have attracted much attention among third-generation
photovoltaic technologies. Owing to their unique optical and electrical properties, PSCs can …

Role of the Adsorption of Alkali Cations on Ultrathin n-Layers of Two-Dimensional Perovskites

IC Ribeiro, PIR Moraes, AFB Bittencourt… - The Journal of …, 2023 - ACS Publications
Metal halide semiconductors have great potential for real-life photovoltaic applications;
however, surface defects induce several challenges to thermodynamic stability. Here, we …

First-principles study of structural, mechanical, optoelectronic and thermoelectric properties of lead-free Cs2BSnX6 (B = Mg, Cu; X = Cl, Br, I) for photo …

IA Shah, M Imran, F Hussain, U Rasheed… - Optical and Quantum …, 2024 - Springer
Currently, halide perovskites with exceptional properties are the most suitable candidates for
RRAM devices. In the present study, a comprehensive investigation of structural …

Density functional theory analysis of structural, electronic, and optical properties of AInX3 (A= K, Rb, Cs and X= Cl, Br) perovskites

S Ullah, Y Mu, G Xie, JR Gong - MRS Communications, 2024 - Springer
This study investigates the optoelectronic potential of novel lead-free inorganic metal halide
cubic perovskites AInX 3 (A= K, Rb, Cs; X= Cl, Br) using ab initio density functional theory …

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 …

Impact of alkaline earth metal doping on the structural, electronic, and optical properties of all inorganic lead-free CsSnX3 (X= I, Br) perovskites: a first-principles study

D Saikia, M Alam, A Betal, C Das… - Journal of Physics …, 2023 - iopscience.iop.org
Recently, researchers have focused on developing more stable, Pb-free perovskites with
improved processing efficiency and notable light harvesting ability. In this regard, Sn-based …

[HTML][HTML] First-principles study of interstitial Li effects on the electronic, structural and diffusion properties of highly boron-doped porous silicon

I González, R Nava, M Cruz-Irisson, JA del Río… - Journal of Energy …, 2024 - Elsevier
Silicon-based anodes for Li-ion batteries have been the subject of intense research due to
their high storage capacity, low working potential, and abundant resources. Nevertheless …

Lithium doping effect on structural, electronic and optical properties of KCaF3 fluoroperovskite: DFT insights using GGA-PBE

A Tariq, MB Tahir, A Dahshan, B Ahmed… - Inorganic Chemistry …, 2023 - Elsevier
In order to evaluate the effects of Lithium (Li) doping on the various properties of KCaF 3, we
present first-principles calculations built on density functional theory (DFT) and employing …

A theoretical study of the electronic properties of hydrogenated spherical‐like SiC quantum dots with C‐rich and Si‐rich compositions

M Ojeda‐Martínez… - … Journal of Quantum …, 2024 - Wiley Online Library
Quantum dots have many potential applications in opto‐electronics, energy storage,
catalysis, and medical diagnostics, silicon carbide quantum dots could be very attractive for …