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Instruments / Technical Area	Publication Details	Published	Actions
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
I09-Surface and Interface Structural Analysis	Self-Metalation of 2H-Tetraphenylporphyrin on Cu(111) Studied with XSW: Influence of the Central Metal Atom on the Adsorption Distance Christoph Buerker , Antoni Franco Canellas , Katharina Broch , Tien-lin Lee , Alexander Gerlach , Frank Schreiber Journal Of Physical Chemistry C 118 (25), 1365913666 DOI: 10.1021/jp503046w Diamond Proposal Number(s): [8450] Show Abstract ▼ Abstract: We present a systematic X-ray standing wave (XSW) study of the π-conjugated organic compound 2H-tetraphenylporphyrin (2HTPP) and copper(II)-tetraphenylporphyrin (CuTPP) on Cu(111) at room and low temperatures. We exploit the feature of thermally activated self-metalation of 2HTPP to CuTPP to study the influence of the central metal atom on the bonding distance of the molecule to the substrate surface. Comparison between the average adsorption distances of the carbon and nitrogen atoms of 2HTPP reveals a distorted molecule with the nitrogen atoms being closer to the surface than the carbon ones on average. Additionally, the measured positions of the two chemically inequivalent types of nitrogen atoms (iminic and aminic) of 2HTPP indicate a distorted porphyrin ring. After the chemical reaction from 2HTPP to CuTPP at 500 K, no change of the adsorption distance of the carbon skeleton is seen, but the entire molecule becomes flattened. Despite the changes upon metalation, adsorption distances for both molecules show a strong interaction with the substrate in comparison to similar π-conjugated molecules.	May 2014

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