Berlin 2024 – scientific programme
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O: Fachverband Oberflächenphysik
O 33: Poster: Supported Nanoclusters and Catalysis
O 33.9: Poster
Tuesday, March 19, 2024, 18:00–20:00, Poster C
In situ XPS and SXAS study on CO adsorption on a FeNC catalyst — •Benedikt P. Klein1,3, Beomgyun Jeong1, Hafiz Ghulam Abbas2, Geunsu Bae2, Adith R. Velmurugan2, Chang Hyuck Choi4, Geonhwa Kim5, Dong Woo Kim5, Ki-jeong Kim5, Byeong Jun Cha6, Young Dok Kim6, Frederic Jaouen7, Reinhard J. Maurer3, and Stefan Ringe2 — 1Korea Basic Science Institute, Daejeon, ROK — 2Korea University, Seoul, ROK — 3University of Warwick, Coventry, UK — 4POSTECH, Pohang, ROK — 5PAL, Pohang, ROK — 6Sungkyunkwan University, Suwon, ROK — 7University of Montpellier, France
A reliable way to quantify the number of active sites in a catalyst is crucial to evaluate its performance. One option to achieve this is to utilize strongly adsorbing gas molecules as a probe to identify the catalytically active sites. Once the molecules are adsorbed on the active sites, their surface density can be determined by using spectroscopic techniques. For this approach it is necessary to identify the probe molecules according to their spectroscopic features, a task much helped by the computational simulation of spectra. Here, we present the in situ XPS and SXAS study for the adsorption of CO on an iron-nitrogen-carbon (FeNC) catalyst under near-ambient gas pressure. Using the experimental spectroscopic data combined with state-of-the-art DFT based spectroscopy simulations, we determine the active site density for the electrochemical oxygen reduction reaction of this catalyst.
Keywords: FeNC; in-situ; XPS; XAS; DFT