Electronic and Optical Properties of CH3NH3SnI3 and CH(NH2)2SnI3 Perovskite Solar Cell

Nguyen Thi Han, Vo Khuong Dien, Ming Fa Lin

Research output: Contribution to journalArticlepeer-review

7 Citations (Scopus)

Abstract

Using first-principles calculations, a study on the electronic and optical characteristics of perovskite solar cells containing the orthorhombic phases CH3NH3SnI3 and CH(NH2)2SnI3 is conducted. The analysis includes the examination of relaxed geometry structures, electronic band structures, charge density distributions, and van Hove singularities in the density of states to thoroughly examine the orbital hybridizations in chemical bonds. The optical properties of the materials with and without excitonic effects by analyzing dielectric functions, energy loss functions, absorption coefficients, and reflectance spectra are also studied. The findings identify the close connections between the initial and final orbital hybridizations, as well as prominent optical excitations. Based on the computational predictions, It is believed that lead-free materials such as CH3NH3SnI3 and CH(NH2)2SnI3 are promising candidates for photovoltaic applications and are worth experimental testing.

Original languageEnglish
Article number2300020
JournalPhysica Status Solidi - Rapid Research Letters
Volume17
Issue number7
DOIs
Publication statusPublished - 2023 Jul

All Science Journal Classification (ASJC) codes

  • General Materials Science
  • Condensed Matter Physics

Fingerprint

Dive into the research topics of 'Electronic and Optical Properties of CH3NH3SnI3 and CH(NH2)2SnI3 Perovskite Solar Cell'. Together they form a unique fingerprint.

Cite this