Morphology-Dependent Interaction between Tetraphenylporphyrins and a Metal Oxide Surface: Electronic Signature, Photo Physics, and Chemical Interaction
Sprache des Vortragstitels:
Deutsch
Original Tagungtitel:
Electro Chemical Society Meeting 2435
Sprache des Tagungstitel:
Deutsch
Englischer Vortragstitel:
Morphology-Dependent Interaction between Tetraphenylporphyrins and a Metal Oxide Surface: Electronic Signature, Photo Physics, and Chemical Interaction
Englischer Tagungstitel:
Electro Chemical Society Meeting 2435
Englische Kurzfassung:
Porphyrin-substrate hybrid systems are the building blocks in a series of materials, such as organic
light-emitting diodes, chemical sensors, dye-sensitized solar cells and catalysts. Functional layers and
2D nanostructures on surfaces enable sensors, a
dimensions. We simulate the photoemission spectra for relevant adsorption sites as a
fingerprint with distinct site-related features in both valence and core-level regions of the electronic
structure that are also observed in experiments on MgO(100) films on Ag(100) and thus aid the
identification of sites. Effects of the formation of porphyrin films on the electronic and optical properties
will be outlined for H 2 TPP and MgTPP.
We also highlight the self-metalation of H2 TPP at morphology-related low-coordinated sites. Metalation
is an important pathway for functionalization of porphyrin-based organic-inorganic structures. We
address the self-metalation mechanism using ab initio molecular dynamics simulation at room
temperature
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