Journal Article

PUBDB-2026-00874

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Dynamics of CO photooxidation to CO$_2$ on rutile (110)

Gleissner, H.Extern* ; Wagstaffe, M.Extern* ; Wenthaus, L.DESY* ; Dominguez Castro, A.Extern* ; Gupta, V. ; Chung, S.XFEL.EU*DESY* ; Palutke, S.XFEL.EU*DESY* ; Dziarzhytski, S.DESY* ; Dmytriiev, D.DESY* ; Heber, M.XFEL.EU*DESY* ; Brenner-Abild, G.DESY* ; Redlin, H.Extern* ; Pressacco, F.XFEL.EU*DESY* ; Dominguez Garcia, A.MPG* ; Frauenheim, T. ; Noei, H. (Corresponding author)DESY* ; Stierle, A. (Corresponding author)XFEL.EU*DESY*

2026
Macmillan Publishers Limited, part of Springer Nature [London]

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Please use a persistent id in citations: doi:10.1038/s42004-026-01901-2  doi:10.3204/PUBDB-2026-00874

Abstract: Free-electron lasers (FELs) enable the study of the ultrafast dynamics of photocatalytic reactions by time-resolved X-ray photoelectron spectroscopy (tr-XPS) with femtosecond time resolution. In an optical pump - soft X-ray probe photoemission experiment conducted at the free-electron laser in Hamburg (FLASH), we observed the ultrafast oxidation of CO to CO$_2$ on rutile TiO$_2$(110) by monitoring the O 1s core level region. Within 800± 250 fs after laser excitation, CO$_2$ as a product of the photooxidation of CO is detected. Based on density functional theory calculations, we propose that the oxygen activation pathway for the COoxidation is initiated via an O$_2$-TiO$_2$ charge transfer complex directly excited by the 770 nm pump laser. Our results give insight into the fundemental understanding of photocatalytic processes of TiO$_2$ polymorphs relevant for the design of more efficient photoctalaysts.

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Contributing Institute(s):

1. Nanolab (FS-NL)
2. DOOR-User (DOOR ; HAS-User)
3. Laser Forschung und Entwicklung (FS-LA)
4. FLASH Wissenschaftlicher Nutzerbetrieb (FS-FLASH-O)
5. Soft X-Ray Port (XFEL_E2_SXP)
6. FLASH Photonen-Strahlführungen und Optiken (FS-FLASH-B)

Research Program(s):

1. 631 - Matter – Dynamics, Mechanisms and Control (POF4-631) (POF4-631)
2. 6G2 - FLASH (DESY) (POF4-6G2) (POF4-6G2)
3. DFG project G:(GEPRIS)390715994 - EXC 2056: CUI: Tiefe Einblicke in Materie (390715994) (390715994)
4. FS-Proposal: F-20190739 (F-20190739) (F-20190739)

Experiment(s):

1. FLASH Beamline PG2 (FLASH)
2. DESY NanoLab: Surface Spectroscopy
3. DESY NanoLab: Sample Preparation

Appears in the scientific report 2026

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Database coverage:
; ; ; ; Article Processing Charges ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; DOAJ Seal ; Ebsco Academic Search ; Essential Science Indicators ; Fees ; IF >= 5 ; JCR ; PubMed Central ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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