Thermal properties of size-selective nanoparticles: Effect of the particle size on Einstein temperature

Y. Li, R. M. Anderson, Z. Duan, S. Chill, R. M. Crooks, G. Henkelman, A. I. Frenkel

Research output: Contribution to journalConference articlepeer-review

Abstract

Characterizing size related thermal properties of nanoclusters is challenging due to the requirement to accurately control both their average sizes and the size distributions. In this work, temperature-dependent Extended X-ray Absorption Fine Structure spectroscopy and the phenomenological bond-order-length-strength (BOLS) model were employed to investigate the size-dependent Einstein temperature of Au nanoclusters. Theoretical calculations of Einstein temperature and average bond distance for clusters with different sizes agree quantitatively with experiment. The BOLS model is thus useful for predictive understanding of structure and thermal properties in well-defined metal clusters.

Original languageEnglish
Article number012063
JournalJournal of Physics: Conference Series
Volume712
Issue number1
DOIs
StatePublished - 2016
Externally publishedYes
Event16th International Conference on X-Ray Absorption Fine Structure, XAFS 2015 - Karlsruhe, Germany
Duration: Aug 23 2015Aug 28 2015

Funding

We gratefully acknowledge support from the National Science Foundation grant No. CHE-1534184. We acknowledge the facilities support provided at NSLS at BNL (DOE, BES, Contract No. DE-SC0012704) and the Synchrotron Catalysis Consortium (DOE, BES, Grant No. DE-SC0012335).

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