Atomic level understanding of the Selective Catalytic Reduction process

PhD defence, Friday 27 January 2017, Logi Arnarson

2017.01.27 | Helle Karvonen

Logi Arnarson

During his studies, Logi Arnarson researched the structural and catalytical properties of the Selective Catalytic Reduction (SCR) of nitrogen oxides (NOx) over vanadia based catalysts. NOx are a serious atmospheric pollutant and is therefore regulated. The most widely used used catalyst for the SCR process is vanadium oxided dispersed on titania(anatase). Despite the fact that this system has been investigated extensively over the last 40 years there is no consesus on the reaction mechanism for the process and the nature of the active site of the catalyst. 

The new research findings contribute to the understanding of the SCR system on the atomic level by use of quantum chemical modelling where a new reaction mechanism for the SCR reactions is proposed and the nature of the active site is elucidated.

The PhD degree was completed at the Interdisciplinary Nanoscience Center (iNANO) and Department of Physics and Astronomy, Science and Technology, Aarhus University.

This résumé was prepared by the PhD student.

Time: Friday 27 January 2017 at 12.30
Place: 1523-318, Department of Physics and Astronomy´s Auditorium, Ny Munkegade 120, 8000  Aarhus C
Title of dissertation: Selective Catalytic Reduction over VOx/TiO2 catalysts studied with DFT
Contact information: Logi Arnarson, e-mail:, tel.: +45 30915258
Members of the assessment committee:
Professor Bill Schneider, Department of Chemical and Biomolecular  Engineering, University of  Notre Dame, USA
Professor Henrik Grönbeck, Department of Physics and Competence  Centre for Catalysis, Chalmers University of Technology, Sweden
Associate Professor Liv Hornekær (chair), iNANO and Department of Physics and Astronomy, Aarhus University
Main supervisor:
Jeppe V. Lauritsen, iNANO and Department of Physics and Astronomy, Aarhus University
Poul Georg Moses, Haldor Topsøe A/S
Language: The PhD dissertation will be defended in English

The defence is public.
The dissertation is available for reading at the Graduate School of Science and Technology/GSST, Ny Munkegade 120, building 1520, rooms 128-134, 8000 Aarhus C.

PhD defence
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Revised 17.05.2018