Focus of the research is to transfer molecular concepts of the chemical bond and reactivity to material science contexts by investigations on the atomic and electronic structure.
Theoretical Chemsitry Colloquium with Prof. Randall Q. Snurr on 12.9.22
The colloquium starts on September 12th at 17.00h in the small lecture hall of the main chemistry building. Prof. Randall Q. Snurr from Northwestern University (Evanston, US) present some of his recent work under the title “How Molecular-Level Modeling and Machine Learning Can Accelerate the…
AK Tonner-Zech ∙
2 new publications
We have published two new publications to the topics "unusually small band gap" and "Topological Stone–Wales Defects Enhance Bonding"
First thesis defences in Leipzig
Jakob Schramm, Luisa Kärmer and Robert Jahn have successfully defense her Bachelor-Thesis and Hendrik Weise his Master-Thesis. It was the first theses of the group in Leipzig. Congratulations to Jakob, Luisa, Robert und Hendrik.
AK Tonner-Zech ∙
First joint publication of the Asmis, Tonner and Warneke groups
Joint research work headed by the junior research group Warneke together with the Tonner and Asmis groups on the systematic investigation of the relevance of π-backbonding involving the delocalized σ-electron systems in superelectrophilic anions.
AK Tonner-Zech ∙
New Publications
We have published new publivcations to the topics "The influence of copper on the optical band gap", "Alkyne-Functionalized Cyclooctyne on Si(001)", "Surface functionalization with nonalternant aromatic compounds", "Relevance of π-Backbonding" and "Relevance of π-Backbonding".
The research idea of the group builds around the approach to use bonding and reactivity concepts from the world of molecular chemistry to solve material sciences challenges.
Reactivity of organic molecules on semiconductor surfaces revealed by density functional theory
F. Pieck, J.-N. Luy, F. Kreuter, B. Mondal, R. Tonner-Zech, in: W. E. Nagel, E. H. Kröner, M. M. Resch: High Performance Computing in Science and Engineering '21, Springer, 2023, 113-131.
Synthesis of a rhodium(III) dinitrogen complex using a calix[4]arene-based diphosphine ligand
J. Emerson-King, S. Pan, M. R. Gyton, R. Tonner-Zech, A. B. Chaplin, Chem. Commun. 2023, 59, 2150-2152.
Towards pi-wires on semiconductor surfaces: Benzyne on Si(001)
T. Glaser, M. Tripp, J.-N. Luy, R. Tonner-Zech, U. Koert, M. Dürr, ChemPhysChem 2022, 23, e202200404.
[SMe3]2[Bi2Ag2I10], a silver iodido bismuthate with an unusually small band gap
J. Möbs, S. Pan, R. Tonner-Zech, J. Heine, Dalton Trans. 2022, 51, 13771–13778.
Elucidating the Reaction Mechanism of Atomic Layer Deposition of Al2O3 with a Series of Al(CH3)xCl3−x and Al(CyH2y+1)3 Precursors
I.-K. Oh, T. E. Sandoval, T.-L. Liu, N. E. Richey, C. T. Nguyen, B. Gu, H.-B.-R. Lee, R. Tonner-Zech, S. F. Bent, J. Am. Chem. Soc. 2022, 144, 11757-11766.
Tuning Molecular Inhibitors and Aluminum Precursors for the Area-Selective Atomic Layer Deposition of Al2O3
J. Yarbrough, F. Pieck, D. Grigjanis, Il-Kwon Oh, P. Maue, R. Tonner-Zech, and St. F. Bent, Chem. Mater. 2022