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Webinar: Simulations for Gold Nanoparticles: Electronic Structure, Multi-scale and Data-driven Approaches

Event Details:

  • Date:          Tuesday, 29 June 2021
  • Time:         Starts: 16:00
  • Venue:       Live streaming of the discussion will be available on Zoom (Password: VsSCz1).
  • Speaker:    Prof. Ioannis Remediakis, University of Crete



CyI Logo RTI ver b     CaSToRC HPC

 

 CaSToRC, the HPC National Competence Centre,
 invites you to the EuroCC and SimEA Online Seminar Series

 
The webinar will be in English and the live stream is open to the public.
Live streaming of the discussion will be available on Zoom (Password: VsSCz1).
Images and/or recordings of our open public events may be used by The Cyprus Institute for dissemination purposes including print and digital media such as websites, press-releases, social media, and live streaming.

 


                                                                                                             

Abstract

Catalysts, sensors, fuel cells, hydrogen storage, batteries, and solar energy conversion are some of the fields where the use of gold nanoparticle shows great promise and presents several challenges. The shape of nanoparticles plays a key role in these applications as it determines the energies of quantum confinement and of surface plasmons, as well as the number and type of active sites for adsorption of ligands and catalysis. The equilibrium shape of metal particles is the polyhedron that minimizes the total surface energy. Such shapes are routinely modelled using variations of the Wulff construction in a multi-scale scheme that combines quantum mechanics and thermodynamics [1].

In this talk, we discuss electronic properties of these nanoparticles in comparison to continuum models [2]. Finally, we discuss the incorporation of gold nanoparticles into polymer matrices, where the properties of the polymer are drastically modified near the polymer-metal interfaces [3].

This work was supported by HFRI project "MULTIGOLD" (HFRI-FM17-1303, KA 10480).

[1] G. D. Barmparis, Z. Lodziana, N. Lopez and I. N. Remediakis, Beilstein J. Nanotechn. 6, 361, (2015)
[2] G. D. Barmparis, G. Kopidakis, and I. N. Remediakis, Materials, 9, 300 (2016).
[3] A. J. Power, I. N. Remediakis, and V. Harmandaris, Polymers 13, 541 (2021).

 

About the Speaker

Ioannis RemediakisProf. Ioannis Remediakis
Associate Professor Ioannis N. Remediakis, got his bachelor (1997), masters (1998), and PhD (2002) degrees from the Department of Physics, University of Crete. His PhD research (simulations for alloyed semiconductor surfaces) was performed at Harvard University.

Between 2002 and 2008, he held teaching and research appointments at the University of Ioannina, the Technical University of Denmark (DTU) and the University of Crete. In 2008, he joined the Department of Materials Science and Technology, and shortly after he joined IESL as affiliated University Faculty Member.

 

 


 

Download the Summer 2021 Online EuroCC & SimEA Seminar Series Programme here.


EuroCC Simea Seminar Series 2 



 

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Additional Info

  • Date: Tuesday, 29 June 2021
  • Time: Starts: 16:00
  • Speaker: Prof. Ioannis Remediakis, University of Crete