Curriculum Vitae

M.Sc. Wilke Dononelli (PhD Student)


since 10/2014

PhD Student at the Research Training Group "Nano Energy Research" at the Carl von Ossietzky Universität Oldenburg

2010 - 2014

Master of Science in Chemistry
at the Carl von Ossietzky Universität Oldenburg

2007 - 2010

Bachelor of Science in Chemistry and Mathematics
at the Carl von Ossietzky Universität Oldenburg


Higher Education Entrance Qualification,
Teletta Groß Gymnasium Leer

Meetings and Conferences

24.06. - 28.06.2018

International Conference on Theoretical Aspects of Catalysis - ICTAC (talk)

16.03. - 18.03.2018

Faraday Discussion: Designing Nanoparticles for Catalysis, London (talk and expert in plenary discussion)

11.03. - 16.03.2018

DPG Frühjahrstagung (Spring Meeting) 2018, Berlin (talk, invitation to Focus Session: Frontiers in electronic structure theory)

18.09. - 19.09.2017

4th International Conference on Physical and Theoretical Chemistry,
Dublin (invited talk)

27.08. - 01.09.2017

11th Triennial Congress of the World Association of Theoretical and
Computational Chemists, Munich (poster)

04.06. - 19.06.2017

25th North American Catalysis Society Meeting, Denver (poster)

11.04. - 13.04.2017

Faraday Joint Interest Group Conference, Warwick (talk)

19.03. - 24.03.2017

DPG Frühjahrstagung (Spring Meeting) 2017, Dresden (talk)

26.09. - 29.09.2016

Symposium on Theoretical Chemistry, Bochum (poster)

12.09. - 14.09.2016

Summer school “Nano- and Energy Research”, Berlin (talk)

28.08. - 02.09.2016

Theory and Applications in Computational Chemistry, Seattle (talk)


Winterfeld-Prise selection of the GDCH, Hannover (talk)

04.04. - 06.04.2016

Faraday Discussion: Designing New Heterogeneous Catalysts,
London (poster and invitation to present at the lightning session)

06.03. - 11.03.2016

DPG Frühjahrstagung (Spring Meeting) 2016, Regensburg (talk)

20.09. - 24.09.2015

Symposium on Theoretical Chemistry, Potsdam (poster)

20.04. - 24.04.2015

CECAM-Workshop: Perspectives of many- particle methods: Total energy,
spectroscopy and time-dependent dynamics
, Bremen (poster)

15.03. - 20.03.2015

DPG Frühjahrstagung (Spring Meeting) 2015, Berlin (talk)

25.08. - 05.09.2014

Summer school “Modern Computational Science”, Oldenburg

09.05. - 11.05.2013

Bunsentagung (General assembly of the German Bunsen society
for Physical chemistry), Karlsruhe (poster)


HPC-Workshop of the Carl von Ossietzky University, Oldenburg (talk)

05.03. - 09.03.2012

HLRS workshop “Fortran for Scientific Computing”, Stuttgart

13.03. - 18.03.2011

DPG Frühjahrstagung (Spring Meeting) 2011, Dresden (talk)

26.09. - 30.09.2010

Symposium on Theoretical Chemistry, Münster (poster)

09.08. - 20.08.2010

Summer school “Modern Computational Science”, Oldenburg

Awards and Scholarships

  • 2018:

Travel grant of the Materials Chemistry Division of the Royal Society of Chemistry for participation at the Faraday Discussion in London

  • 2017:

Wilhelm und Else Heraeus travel grant for participation
at the WATOC in Munich

  • 2017:

Congress grant “Kongressstipendium” of the Universitätsgesellschaft
Oldenburg e.V. (Physical Chemistry Conference 2017, Dublin)

  • 2017:

Student bursary of the Surface Reactivity and Catalysis Group
of the Royal Society of Chemistry for participation at the NAM25, Denver (USA)

  • 2016/2017:

Oltech travel grant for participation at the NAM25, Denver (USA)

  • 2016:

Travel grant of the FAZIT Stiftung for traveling to conferences in the USA
(TACC2016 Seattle)

  • 2016:

Wolfgang-Schulenberg travel grant for participation at international conferences
(Faraday Discussion, London)

  • 2016:

Wilhelm und Else Heraeus travel grant for participation at the DPG Spring Meeting

  • 2014 - 2017:  

Georg-Lichtenberg scholarship of the Research Training Group Nano Energy Research

  • 2012 - 2014:

MINT Science Excellent scholarship of the Manfred Lautenschläger Stiftung

  • 2010:

Poster award at the Symposium on Theoretical Chemistry, Münster

  • 2009 - 2010:

Scholarship for covering tuition fees at the Carl von Ossietzky Universität Oldenburg


[11]W. Dononelli and T. Klüner, Analyzing the local basis set superposition error for CO adsorbed on rutile(110), International Journal of Quantum Chemistry, 2020, 26428.
[10]W. Dononelli, G. Tomaschun, T. Klüner and L. V. Moskaleva, Understanding Oxygen Activation on Nanoporous Gold, ACS Catal.2019, 9, 5204–521.
[9]C. D. Feldt, R. Moreira, E. Meyer, P. Clawin, W. Riedel, T. Risse, L. Moskaleva, W. Dononelli, T. Klüner; CO Adsorption on Au(332): Combined Infrared Spectroscopy and Density Functional Theory Study, J. Phys. Chem. C. 2019, 123, 8187-8197.
[8]W. Dononelli, L. V. Moskaleva and T.Klüner; CO Oxidation Over Unsupported Group 11 Metal Catalysts: New Mechanistic Insight From First Principles, J. Phys. Chem. C 2019, 123, 7818-7830.

G. Tomaschun, W. Dononelli, Y. Li, M. Bäumer, T. Klüner, L. V. Moskaleva; Methanol oxidation on the Au(310) surface: A theoretical study, J. Catal. 2018, 364, 216-227.


W. Dononelli and T. Klüner; CO adsorption and oxygen activation on group 11 nanoparticles – a combined DFT and high level CCSD(T) study about size effects and activation processes, Faraday Discuss.2018, 208, 105-121.



Y. Li, W. Dononelli, R. Moreira, T. Risse, M. Bäumer, T. Klüner and L. V. Moskaleva; Oxygen-Driven Surface Evolution of Nanoporous Gold: Insights from Ab Initio Molecular Dynamics and Auger Electron Spectroscopy,J. Phys. Chem. C2018, 122, 10, 5349-5357.


W. Dononelli, L. V. Moskaleva and T. Klüner; Aerobic Alcohol Oxidation on Nanoporous Gold: Towards a Mechanistic Understanding of Reactivity; in EncyclopediaInterface Chemistry: Surface Science and Electrochemistry2017, Elsevier.


C. Campbell, M. Bowker, M. Stamatakis, G. Hutchings, P. Davies, J. Earley, M. Howard, B. Garrett, F. Oloye, E. Gross, A. Kotarba, M. V. Landau, I. Panas, J. Anderson, B. Weckhuysen, W. Dononelli, S. Iqbal, B. Temel, E. Nowicka, A. Bruix, C. Reece, J. Moulijn, B. Gates, R. Catlow, N. N. Tusar, D. Willock, D. Wotton, F. I. Barcelo, R. Palmer, R. Madix, C. Friend, A. Corma, H.-J. Freund, G. Whiting and J. Sauer; Bridging model and real catalysts: general discussion, Faraday Discuss.2016, 188, 565-589.


G. Wedler and H.-J. Freund; Arbeitsbuch Physikalische Chemie – Lösungen zu den Aufgaben der sechsten Auflage, 2012, Berlin, Wiley VCH (preparation of exercises and their solutions).


U. Betke, W. Dononelli, T. Klüner, M.S. Wickleder; ReO2Cl(S2O7), a Molecular Disulfate, Angew. Chem. Int. Ed. 2011, 50, 12361–12363. /Angew. Chem.2011, 123, 12569–12571.



[1]Chirale Azetidincarbonsäure-Derivate (DE 102012016476 A1)
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