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

16th International Conference on X-ray Absorption Fine Structure

Li, Y.^1 ; Anderson, R.M.^2 ; Duan, Z.^3 ; Chill, S.^3 ; Crooks, R.M.^2 ; Henkelman, G.^3 ; Frenkel, A.I.^1

Department of Physics, Yeshiva University, New York

NY, United States^1

Department of Chemistry and Biochemistry, Texas Materials Institute, University of Texas at Austin, 1 University Station, Austin

TX, United States^2

Department of Chemistry and Biochemistry, Institute for Computational and Engineering Science, University of Texas at Austin, 1 University Station, Austin

TX, United States^3

关键词: Au nanoclusters;    Different sizes;    Einstein temperature;    Size dependent;    Size-selective;    Structure and thermal properties;    Temperature dependent;    Theoretical calculations;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/712/1/012063/pdf
DOI  :  10.1088/1742-6596/712/1/012063

来源: IOP

【 摘 要 】

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.