A ternary Li₃B₇Si₃ cluster: when reduced electron delocalization enhances thermodynamic stability

Q: What type of study is this?

This is a Experimental Study study.

Long Van Duong; Phuong Anh Pham-Tran; Mateusz Chwastyk; My Phuong Pham‐Ho; Minh Tho Nguyen

doi:10.1039/d5ra04954g

January 1, 2025RSC AdvancesOpen Access

A ternary Li₃B₇Si₃ cluster: when reduced electron delocalization enhances thermodynamic stability

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Key Points

The study finds that reduced electron delocalization enhances the thermodynamic stability of Li3B7Si3.
Isomer search identified the triangular planar isomer T+ of B7Si3 as particularly stable under various charge states.
This analysis explores different Li3B7Si3 and Li3B10H3 cluster configurations to determine stability patterns.
Findings have implications for the design of new materials by enhancing the understanding of electron behavior.

Implication

Investigation reveals electron delocalization impacts thermodynamic stability in Li3B7Si3 and B7Si3 clusters.

Abstract

The stability and electronic structures of B 7 Si 3 q ( q = +, 0, −, 2− and 3−), Li 3 B 7 Si 3 and Li 3 B 10 H 3 clusters have been investigated through a comprehensive isomer search, with a focus on the perfect triangular planar isomer T+ of B 7 Si 3 + .

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Cite This Study

Duong et al. (2025) studied this question.

synapsesocial.com/papers/68d462d231b076d99fa623fb https://doi.org/10.1039/d5ra04954g

View Full Paper

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A ternary Li₃B₇Si₃ cluster: when reduced electron delocalization enhances thermodynamic stability

Key Points

Implication

Abstract

Discussion

Cite This Study

A ternary Li₃B₇Si₃ cluster: when reduced electron delocalization enhances thermodynamic stability

Key Points

Implication

Abstract

Discussion

Cite This Study

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