Tuning the Electronic Structure and Stability of Au 38 (SR) 24 Nanoclusters via Site-Selective Palladium Doping

龚清尧; Xiaxi Lei; Wenhui Zhao; Gang Wang; Wenwu Xu

doi:10.1039/d6cp00438e

January 1, 2026Physical Chemistry Chemical Physics

Tuning the Electronic Structure and Stability of Au 38 (SR) 24 Nanoclusters via Site-Selective Palladium Doping

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Key Points

The aim is to explore how palladium doping affects the structural and electronic characteristics of Au 38 (SR) 24 nanoclusters.
Conducted systematic computational investigation
Analyzed structural, energetic, electronic, and optical properties
Focused on palladium-doped isomers of Au 38 (SR) 24
Identified changes in electronic structure due to palladium doping
Noted variations in optical properties correlated with doping
Enhanced stability observed in certain isomers of the nanocluster

Implication

Computational investigation reveals effects of palladium doping on electronic and optical properties of nanoclusters, suggesting enhanced stability.

Abstract

This study presents a systematic computational investigation into the structural, energetic, electronic, and optical properties of palladium-doped isomers of the Au 38 (SR) 24 nanocluster, with a specific focus on...

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Cite This Study

龚清尧 et al. (2026) studied this question.

synapsesocial.com/papers/69e1ce065cdc762e9d857331 https://doi.org/10.1039/d6cp00438e

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Tuning the Electronic Structure and Stability of Au 38 (SR) 24 Nanoclusters via Site-Selective Palladium Doping

Key Points

Implication

Abstract

Discussion

Cite This Study

Tuning the Electronic Structure and Stability of Au 38 (SR) 24 Nanoclusters via Site-Selective Palladium Doping

Key Points

Implication

Abstract

Discussion

Cite This Study

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