Precursor-driven synthesis of copper nanoparticles: bridging experiment and theory in nuclearity effects
Abstract
The synthesis of copper nanoparticles via hydrogenolysis of copper amidinate complexes is highly sensitive to the molecular structure of the precursor. This study demonstrates that the precursor's electronic structure, including its propensity to form higher-nuclearity copper assemblies, governs nanoparticle morphology and size distribution. Density Functional Theory (DFT) analyses, including Electron Localization Function (ELF), Atoms in Molecules (AIM) and Conceptual DFT (CDFT), provide theoretical insights into the Cu-Cu and Cu-N interactions and atomic properties. While experimental results establish the pivotal role of the precursor, detailed related modelling analyses reveal that the preferred nuclearity of the precursor in solution governs nanoparticle growth mechanisms. This work underscores the value of a holistic understanding of precursor properties to achieve rational design and control of nanoparticle syntheses.
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BibTeX
@article{irlebelmont2026precursordriven,
title = {{Precursor-driven synthesis of copper nanoparticles: bridging experiment and theory in nuclearity effects}},
author = {Jean Irle-Belmont and Jean-Thomas Pouzens and Michel Feron and Laure Vendier and Valérie Sartor and Christian Lorber and Jean-Cyrille Hierso and Paul Fleurat-Lessard and Myrtil L Kahn},
journal = {Nanoscale},
year = {2026},
month = sep,
doi = {10.1039/d6nr02559e},
url = {https://hal.science/hal-05772965v1},
note = {CC BY-NC 4.0},
}
RIS
TY - JOUR
TI - Precursor-driven synthesis of copper nanoparticles: bridging experiment and theory in nuclearity effects
AU - Jean Irle-Belmont
AU - Jean-Thomas Pouzens
AU - Michel Feron
AU - Laure Vendier
AU - Valérie Sartor
AU - Christian Lorber
AU - Jean-Cyrille Hierso
AU - Paul Fleurat-Lessard
AU - Myrtil L Kahn
PY - 2026
DA - 2026/09/15
JO - Nanoscale
DO - 10.1039/d6nr02559e
UR - https://hal.science/hal-05772965v1
AB - The synthesis of copper nanoparticles via hydrogenolysis of copper amidinate complexes is highly sensitive to the molecular structure of the precursor. This study demonstrates that the precursor's electronic structure, including its propensity to form higher-nuclearity copper assemblies, governs nanoparticle morphology and size distribution. Density Functional Theory (DFT) analyses, including Electron Localization Function (ELF), Atoms in Molecules (AIM) and Conceptual DFT (CDFT), provide theoretical insights into the Cu-Cu and Cu-N interactions and atomic properties. While experimental results establish the pivotal role of the precursor, detailed related modelling analyses reveal that the preferred nuclearity of the precursor in solution governs nanoparticle growth mechanisms. This work underscores the value of a holistic understanding of precursor properties to achieve rational design and control of nanoparticle syntheses.
SN - 2040-3364
SN - 2040-3372
ER -