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Thermodynamic stability of ligand-protected metal nanoclusters

Taylor, MG and Mpourmpakis, G (2017) Thermodynamic stability of ligand-protected metal nanoclusters. Nature Communications, 8.

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Despite the great advances in synthesis and structural determination of atomically precise, thiolate-protected metal nanoclusters, our understanding of the driving forces for their colloidal stabilization is very limited. Currently there is a lack of models able to describe the thermodynamic stability of these 'magic-number' colloidal nanoclusters as a function of their atomic-level structural characteristics. Herein, we introduce the thermodynamic stability theory, derived from first principles, which is able to address stability of thiolate-protected metal nanoclusters as a function of the number of metal core atoms and thiolates on the nanocluster shell. Surprisingly, we reveal a fine energy balance between the core cohesive energy and the shell-to-core binding energy that appears to drive nanocluster stabilization. Our theory applies to both charged and neutral systems and captures a large number of experimental observations. Importantly, it opens new avenues for accelerating the discovery of stable, atomically precise, colloidal metal nanoclusters.


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Item Type: Article
Status: Published
CreatorsEmailPitt UsernameORCID
Taylor, MGmgt16@pitt.eduMGT16
Mpourmpakis, GGMPOURMP@pitt.eduGMPOURMP0000-0002-3063-0607
Date: 7 July 2017
Date Type: Publication
Journal or Publication Title: Nature Communications
Volume: 8
DOI or Unique Handle: 10.1038/ncomms15988
Schools and Programs: Swanson School of Engineering > Chemical and Petroleum Engineering
Refereed: Yes
Date Deposited: 10 Jul 2017 14:01
Last Modified: 03 Apr 2021 09:55


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