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Can you determine nanoparticle size from lattice vibrations?

Chung, Sylvia Yuk Yee (2018) Can you determine nanoparticle size from lattice vibrations? Master of Science by Research (MScRes) thesis, University of Kent,. (KAR id:66906)

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Abstract

Molecular dynamics simulation was used to calculate breathing mode frequencies of polyhedral ceria nanoparticles and determine whether the frequency can be used as an indicator of nanoparticle size and shape. In particular, energy was added to ceria nanoparticles, 2.7 - 8 nm in size, to induce vibration. The frequencies of the breathing mode vibrations were calculated to range from 28 - 78 cm-1 and change as a function of particle size in accord with experiment.

This information is important with respect to analytical tools used to measure nanoparticle sizes and also nanomedicinal applications. Moreover, MD simulation can be used as a tool to help complement experiment in predicting structures that give rise to particular breathing mode vibrational frequencies.

Item Type: Thesis (Master of Science by Research (MScRes))
Thesis advisor: Sayle, Dean
Uncontrolled keywords: Ceria, nanoparticles, molecular dynamics, lattice vibrations, breathing modes
Divisions: Faculties > Sciences > School of Physical Sciences
SWORD Depositor: System Moodle
Depositing User: System Moodle
Date Deposited: 04 May 2018 16:10 UTC
Last Modified: 23 Jan 2020 04:14 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/66906 (The current URI for this page, for reference purposes)
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