Correlation Between C–H∙∙∙Br and N–H∙∙∙Br Hydrogen Bond Formation in Perovskite CH<sub>3</sub>NH<sub>3</sub>PbBr<sub>3</sub>: A Study Based on Statistical Analysis

Correlation Between C–H∙∙∙Br and N–H∙∙∙Br Hydrogen Bond Formation in Perovskite CH<sub>3</sub>NH<sub>3</sub>PbBr<sub>3</sub>: A Study Based on Statistical Analysis

This study investigates the potential correlation between C—H···Br and N—H···Br hydrogen bonds in CH<sub>3</sub>NH<sub>3</sub>PbBr<sub>3</sub> over a broad temperature range (50–350 K), using a statistical analysis of molecular dynamics simulations. The analysis f...

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Bibliographic Details
Main Authors: Alejandro Garrote-Márquez, Norge Cruz Hernández, Eduardo Menéndez-Proupin
Format: Article
Language:English
Published: MDPI AG 2025-06-01
Series:Solids
Subjects:
hydrogen bonding
halide perovskites
statistical analysis
hydrogen bond correlation coefficients
Online Access:https://www.mdpi.com/2673-6497/6/2/29
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