Theoretical Study of Bromide Mixed-RbPbI3 Towards Optoelectronic Applications

Nyayban, Anupriya; Panda, Subhasis; Chowdhury, Avijit

doi:10.1007/s11664-023-10271-7

Cited by 1 publication

(1 citation statement)

References 45 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Solar energy is the most prominent and eco‐friendly renewable source of energy [1]. Organic‐inorganic hybrid halide perovskite (OIHP) based solar cells have gained much attention over conventional solar cells in recent times due to their optimistic photovoltaic properties, namely, high optical absorption, tunable band gaps, high charge carrier mobility, easy synthesizability at moderate temperatures, reactivity towards different wavelengths of light and their low fabrication cost and so forth [2–8]. It has been reported in the literature that Pb‐halide perovskite‐based photovoltaic materials exhibit power conversion efficiencies (PCE) up to 25.7% [9–13].…”

Section: Introductionmentioning

confidence: 99%

A first‐principles investigation into the rational design of Sn‐halide perovskite materials as an alternative to Pb‐based perovskites

Chutia,

Kalita,

Kalita

2023

Int J of Quantum Chemistry

View full text Add to dashboard Cite

The development of Pb‐free alternatives for perovskite‐based photovoltaics is extremely important due to the toxicity of Pb to the environment. Sn‐based organic inorganic hybrid halide perovskites are considered to be the most suitable alternative to Pb‐based ABX perovskites due to their similar optoelectronic properties. The selection of A site cation in ABX type perovskites is crucial for favorable structural and mechanical properties. Using first principle methods, we have designed and investigated Sn–I based hybrid halide perovskite materials with different organic cations mixed in equal proportions. Observed tolerance (TF) and octahedral factors () indicate the formation of stable three‐dimensional perovskite structure. Our studied materials also exhibit thermodynamic stability due to the negative value of their formation energies. Observed band gap values indicate the semiconducting nature of our studied perovskite materials. Calculated optical properties indicate that all of the compounds exhibit suitable dielectric functions and absorption coefficients in the visible range of the electromagnetic spectrum. The observed highest value of theoretical power conversion efficiency of MA‐AMSnI (11.24%) indicates its potential to be used in photovoltaics. Our investigation will be beneficial for researchers to develop less toxic and efficient perovskite materials for the fabrication of optoelectronic devices.

show abstract

Section: Introductionmentioning

confidence: 99%