Link to the University of Pittsburgh Homepage
Link to the University Library System Homepage Link to the Contact Us Form

Thermodynamic stability of ligand-protected metal nanoclusters

Taylor, Michael G. and Mpourmpakis, Giannis (2017) Thermodynamic stability of ligand-protected metal nanoclusters. Nature Communications, 8 (1). ISSN 2041-1723

Published Version

Download (730kB) | Preview


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.


Social Networking:
Share |


Item Type: Article
Status: Published
CreatorsEmailPitt UsernameORCID
Taylor, Michael G.
Mpourmpakis, Giannis
Date: 7 July 2017
Date Type: Publication
Journal or Publication Title: Nature Communications
Volume: 8
Number: 1
Publisher: Nature Research
DOI or Unique Handle: 10.1038/ncomms15988
Schools and Programs: Swanson School of Engineering > Chemical and Petroleum Engineering
Refereed: No
ISSN: 2041-1723
Official URL:
Article Type: Research Article
Date Deposited: 12 May 2020 15:08
Last Modified: 12 May 2020 15:08


Monthly Views for the past 3 years

Plum Analytics

Actions (login required)

View Item View Item