Polaron-Adsorbate Coupling at the TiO<sub>2</sub>(110)-Carboxylate Interface

نویسندگان

چکیده

Understanding how adsorbates influence polaron behavior is of fundamental importance in describing the catalytic properties TiO2. Carboxylic acids adsorb readily at TiO2 surfaces, yet their on polaronic states unknown. Using UV photoemission spectroscopy (UPS), two-photon (2PPE), and density functional theory (DFT) we show that dissociative adsorption formic acetic has profound, different, effects surface density, crystal field, photoexcitation polarons rutile TiO2(110). We also these variations are governed by contrasting electrostatic acids, which impacts extent polaron–adsorbate coupling. The region increases more formate-terminated TiO2(110) relative to acetate. Consequently, increased coupling gives rise new channels via 3.83 eV above Fermi level. onset this process 3.45 eV, likely adding photoyield.

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ژورنال

عنوان ژورنال: Journal of Physical Chemistry Letters

سال: 2021

ISSN: ['1948-7185']

DOI: https://doi.org/10.1021/acs.jpclett.1c00678