Nina Kainbacher » People

@article{Zirwick2025,

title = {Highly Ordered Single Domain Peri-Tetracene Monolayers on Ag(110)},

author = {M. Zirwick and N. Kainbacher and J. B. Bauer and M. S. Wagner and P. Puschnig and T. Chassé and H. F. Bettinger and H. Peisert},

url = {https://pubs.acs.org/doi/10.1021/acs.jpcc.5c01482},

doi = {10.1021/acs.jpcc.5c01482},

year  = {2025},

date = {2025-04-15},

urldate = {2025-04-15},

journal = {The Journal of Physical Chemistry C},

volume = {129},

issue = {17},

pages = {8447–8454},

abstract = {The on-surface reaction of 1,1’-bitetracene (Bi4A) to peri-tetracene (tetrabenzo[bc,ef,kl,no]coronene) (4-PA) on Cu(110) and Ag(110) is studied by photoemission, scanning tunneling microscopy (STM) and low energy electron diffraction (LEED). Density functional theory (DFT) computations suggest that the Ag(110) substrate is well suited for the formation of large-area 4-PA monolayers with a preferential adsorption alignment of 4-PA molecules along the [11̅0] direction. The experiments confirm the formation of 4-PA and presence of large highly ordered 4-PA domains. Two distinct phases emerge, growing seamlessly over large areas and even spanning step edges. Evidence for charge transfer from the substrate to the molecule was found, resulting in a filling of the lowest unoccupied molecular orbital (LUMO) of 4-PA.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Klein2024,

title = {Peri-Tetracene from 1,1′-Bitetracene: Zipping up Structurally Defined Graphene Nanoribbons},

author = {M. Klein and J. B. Bauer and N. Kainbacher and M. S. Wagner and K. Greulich and P. Haizmann and E. Giangrisostomi and R. Ovsyannikov and P. Puschnig and T. Chassé and H. F. Bettinger and H. Peisert},

doi = {10.1021/acs.jpcc.3c08182},

year  = {2024},

date = {2024-02-22},

journal = {J. Phys. Chem. C},

volume = {128},

pages = {4048-4059},

abstract = {Polycyclicaromatichydrocarbons(PAHs) are promising molecules for a manifold of applications in organic electronics, spintronics, or energy storage devices. Among PAHs, particular attention has been focused on the synthesis and study of acenes and fused acenes, peri-acenes, allowing tuning of the highest occupied molecular orbital−lowest unoccupied molecular orbital (HOMO−LUMO) gap with the size of the conjugated system. As a starting point for the surface synthesis of larger PAHs, we synthesized a 1,1′-bitetracene for the first time. This precursor molecule consists of two tetracene units connected via the 1,1′-position with a torsion angle of 70°.  The interface properties of the molecule before and after annealing on a Cu(111) surface are investigated. Using X-ray photoemission spectroscopy(XPS), angle-resolved photoelectron spectroscopy (ARPES), low-energy electron diffraction (LEED), and scanning-tunneling microscopy (STM), it is experimentally demonstrated that the tetracene units zip up with the help of heat forming peri-tetracene. These results and the exact adsorption geometry are in excellent agreement with calculations using density functionaltheory (DFT). Moreover, the calculations enable the identification of newly formed valence band states at the interface to Cu(111).},

keywords = {},

pubstate = {published},

tppubtype = {article}

}