Structural and Electronic Properties of Small Perovskite Nanoparticles of the Form <i>ABX</i><sub>3</sub> (<i>A</i> = <i>MA</i>, <i>DEA</i>, <i>FA</i>, <i>GA</i>, <i>B</i> = <i>Pb</i>, <i>Sn</i>, <i>X</i> = <i>Cl</i>, <i>Br</i>, <i>I</i>)

Structural and Electronic Properties of Small Perovskite Nanoparticles of the Form <i>ABX</i><sub>3</sub> (<i>A</i> = <i>MA</i>, <i>DEA</i>, <i>FA</i>, <i>GA</i>, <i>B</i> = <i>Pb</i>, <i>Sn</i>, <i>X</i> = <i>Cl</i>, <i>Br</i>, <i>I</i>)

Using a combination of first principles and semiempirical calculation, we explore the structural, electronic, and optical properties of a wide range of perovskite (<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><m...

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Bibliographic Details
Main Authors: Christos S. Garoufalis, Iosif Galanakis, Zaiping Zeng, David B. Hayrapetyan, Sotirios Baskoutas
Format: Article
Language:English
Published: MDPI AG 2021-08-01
Series:Electronic Materials
Subjects:
halide perovskites
perovskite nanoparticles
electronic structure
optical properties
density functional theory
time–propagation TDDFT
Online Access:https://www.mdpi.com/2673-3978/2/3/26

Internet

https://www.mdpi.com/2673-3978/2/3/26

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