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Main Authors: Ribeiro, Israel C., Moraes, Pedro Ivo R., Bittencourt, Albert F. B., Da Silva, Juarez L. F.
Format: Preprint
Published: 2024
Subjects:
Online Access:https://arxiv.org/abs/2408.11127
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author Ribeiro, Israel C.
Moraes, Pedro Ivo R.
Bittencourt, Albert F. B.
Da Silva, Juarez L. F.
author_facet Ribeiro, Israel C.
Moraes, Pedro Ivo R.
Bittencourt, Albert F. B.
Da Silva, Juarez L. F.
contents Metal-halide semiconductors have great potential for real-life photovoltaic applications; however, surface defects induce several challenges to the thermodynamic stability. Here, we employed density functional theory calculations within van der Waals corrections (D3) to investigate the role of monovalent cations (Li, Na, K, Rb and Cs) in the passivation of 2D perovskite ultrathin films.
format Preprint
id arxiv_https___arxiv_org_abs_2408_11127
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Role of the Adsorption of Alkali Cations on Ultrathin $n$-Layers of Two-dimensional Perovskites
Ribeiro, Israel C.
Moraes, Pedro Ivo R.
Bittencourt, Albert F. B.
Da Silva, Juarez L. F.
Materials Science
Mesoscale and Nanoscale Physics
Metal-halide semiconductors have great potential for real-life photovoltaic applications; however, surface defects induce several challenges to the thermodynamic stability. Here, we employed density functional theory calculations within van der Waals corrections (D3) to investigate the role of monovalent cations (Li, Na, K, Rb and Cs) in the passivation of 2D perovskite ultrathin films.
title Role of the Adsorption of Alkali Cations on Ultrathin $n$-Layers of Two-dimensional Perovskites
topic Materials Science
Mesoscale and Nanoscale Physics
url https://arxiv.org/abs/2408.11127