Contact

Curriculum Vitae

M.Sc. Wilke Dononelli (PhD Student)

Education

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

2006

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)

07.07.2016

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)

25.02.2013

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

Publications

[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.
 
 
[7]

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.

 
[6]

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.

 

[5]

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. C 2018, 122, 10, 5349-5357.

 
[4]

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.

 
[3]

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.

 
[2]

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).

 
[1]

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.

 

Patents

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