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Instruments / Technical Area	Publication Details	Published
I07-Surface & interface diffraction	Structural order in cellulose thin films prepared from a trimethylsilyl precursor Andrew O. F. Jones , Roland Resel , Benedikt Schrode , Eduardo Machado-Charry , Christian Rothel , Birgit Kunert , Ingo Salzmann , Eero Kontturi , David Reishofer , Stefan Spirk Biomacromolecules DOI: 10.1021/acs.biomac.9b01377 Diamond Proposal Number(s): [13569] Show Abstract ▼ Abstract: The biopolymer cellulose is investigated in terms of the crystallographic order within thin films. The films were prepared by spin coating of a trimethylsilyl cellulose precursor followed by an exposure to HCl vapors; two different source materials were used. Careful pre-characterization of the films was performed by infrared spectroscopy and atomic force microscopy. Subsequently, the films were investigated by grazing incidence X-ray diffraction using synchrotron radiation. The results showed broad diffraction peaks, indicating a rather short correlation length of the molecular packing in the range of a few nm. The analysis of the diffraction pattern was based on the known structures of crystalline cellulose, since the observed peak pattern was comparable to cellulose phase II and phase III. The dominant fraction of the film is formed by two different types of layers which are oriented parallel to the substrate surface. The stacking of the layers results in a one-dimensional crystallographic order with a defined interlayer distance of either 7.3 Å or 4.2 Å. As a consequence, two different preferred orientations of the polymer chains are observed. In both cases, polymer chain axes are aligned parallel to the substrate surface, and the orientation of the cellulose molecules are concluded to be either edge-on or flat-on. A minor fraction of the cellulose molecules form nanocrystals that are randomly distributed within the films. In this case, the molecular packing density was found to be smaller in comparison to the known crystalline phases of cellulose.	Nov 2019
	Energy-level alignment at strongly coupled organic-metal interfaces Meng-Ting Chen , Oliver T. Hofmann , Alexander Gerlach , Benjamin Bröker , Christoph Buerker , Jens Niederhausen , Takuya Hosokai , Jorg Zegenhagen , Antje Vollmer , Ralph Rieger , Klaus Muellen , Frank Schreiber , Ingo Salzmann , Norbert Koch , Egbert Zojer , Steffen Duhm Journal Of Physics: Condensed Matter DOI: 10.1088/1361-648X/ab0171 Open Access Show Abstract ▼ Abstract: Energy-level alignment at organic-metal interfaces plays a crucial role for the performance of organic electronic devices. However, reliable models to predict energetics at strongly coupled interfaces are still lacking. We elucidate contact formation of 1,2,5,6,9,10-coronenehexone (COHON) to the (111)-surfaces of coinage metals by means of ultraviolet photoelectron spectroscopy, X-ray photoelectron spectroscopy, the X-ray standing wave technique, and density functional theory calculations. While for low COHON thicknesses, the work-functions of the systems vary considerably, for thicker organic films Fermi-level pinning leads to identical work functions of 5.2 eV for all COHON-covered metals irrespective of the pristine substrate work function and the interfacial interaction strength.	Jan 2019
I09-Surface and Interface Structural Analysis	Nitrogen substitution impacts organic-metal interface energetics Ao Yang , Antoni Franco Canellas , Mikio Sato , Bin Wang , Rong-Bin Wang , Harunobu Koike , Ingo Salzmann , Pardeep Kumar Thakur , Tien-Lin Lee , Lijia Liu , Satoshi Kera , Alexander Gerlach , Kaname Kanai , Jian Fan , Frank Schreiber , Steffen Duhm Physical Review B 94 DOI: 10.1103/PhysRevB.94.155426 Diamond Proposal Number(s): [9523] Show Abstract ▼ Abstract: We investigated the structural and electronic properties of vacuum sublimed 7,8,15,16-tetraazaterrylene (TAT) thin films on Au(111), Ag(111), and Cu(111) substrates using inverse photoemission spectroscopy, ultraviolet photoelectron spectroscopy (UPS), x-ray photoelectron spectroscopy (XPS), low energy electron diffraction (LEED), and the x-ray standing wave (XSW) technique. The LEED reveals a flat adsorption geometry of the monolayer TAT on these three substrates, which is in accordance with the XSW results. The molecules are slightly distorted in monolayers on all three substrates with the nitrogen atoms having smaller averaged bonding distances than the carbon atoms. On Ag(111) and Cu(111), chemisorption with a net electron transfer from the substrate to the adsorbate takes place, as evidenced by UPS and XPS. Combining these results, we gain full insight into the correlation between electronic properties and interface geometry.	Oct 2016

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