About cookies on this site Our websites require some cookies to function properly (required). In addition, other cookies may be used with your consent to analyze site usage, improve the user experience and for advertising. For more information, please review your options. By visiting our website, you agree to our processing of information as described in IBM’sprivacy statement. To provide a smooth navigation, your cookie preferences will be shared across the IBM web domains listed here.
Publication
Chemical Physics Letters
Paper
Chemisorption geometry of formate on TiO2(110) by photoelectron diffraction
Abstract
We have combined photoelectron diffraction in both scanned-angle and scanned-energy modes with Hartree-Fock calculations to investigate the interface structure of HCOO- on TiO2(110). Formate anions bind through the oxygens to Ti cation rows along [001] with a 2 × periodicity and an O-C-O bond angle of 126 ± 4°. Each anion binds to two Ti cations with an adsorbate-substrate bond distance of 2.0 ± 0.1 Å.