25-29 June 2018
Africa/Johannesburg timezone
General information and Registration for SAIP2018 is handled by Eastern Sun Events at: http://www.saipconference.co.za/ <p> Deadline for papers for the conference proceedings is 28 July 2018

First principles studies of Palladium nanoparticles on TiO<sub>2</sub> surfaces.

28 Jun 2018, 15:00
2h
Poster Presentation Track A - Physics of Condensed Matter and Materials Poster Session 2

Speaker

Ms Andile Mazibuko (yes)

Description

Precious metal catalysts, which include the platinum group metals (PGMs), find their way into processes such as in emission control technology. Metal nanoparticles supported on metal oxides are being considered as catalysts in the emission control technology, with the most used catalysts being the Pt and Pt-based catalysts. However, Pd-based catalysts are being developed since they have similar electronic configurations and lattice constants as Pt but are cheaper and show other interesting properties which find them suitable for use in catalytic converters. Here it is shown that the rutile (110) surface is stable and thus a suitable support material to be used in this type of catalysis, whereas previously anatase was suggested. The palladium clusters show that Pd13 is stable from its least negative second order difference (D2E) energy value. Furthermore, we found that the interactions of the Pd13/TiO2 gave the most favourable site to be the one where Pd13 adsorbs on the bridging oxygen. This suggests that adsorption is likely to be more effective when the catalyst and support material are configured in that order. Our results demonstrate how the interaction of the stable components of Pd13/TiO2 will result in more carbon monoxide emissions being controlled when used in catalytic converters because of the high affinity to hydrogen that the Pd13-catalyst has which will subsequently result in the conversion of carbon monoxide into carbon dioxide and water.

Supervisor details<br><b>If not a student, type N/A.</b><br>Student abstract submision<br>requires supervisor permission:<br>please give their name,<br> institution and email address.

Prof Hasani Chauke, University of Limpopo hasani.chauke@ul.ac.za
Prof Phuti Ngoepe, University of Limpopo phuti.ngoepe@ul.ac.za

Consideration for<br>student awards<br><b>Choose one option<br>from those below.</b><br>N/A<br>Hons<br>MSc<br>PhD None
Please confirm that you<br>have carefully read the<br>abstract submission instructions<br>under the menu item<br>"Call for Abstracts"<br><b>(Yes / No)</b> Yes

Primary authors

Ms Andile Mazibuko (yes) Prof. Hasani Chauke (University of Limpopo) Prof. Phuti Ngoepe (University of Limpopo) Ms Refiloe Diale (University of Limpopo)

Presentation Materials

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