Atom-specific activation in CO oxidation

Schreck, Simon; Diesen, Elias; LaRue, Jerry; Ogasawara, Hirohito; Marks, Kess; Nordlund, Dennis; Weston, Matthew; Beye, Martin; Cavalca, Filippo; Perakis, Fivos; Sellberg, Jonas; Eilert, André; Kim, Kyung Hwan; Coslovich, Giacomo; Coffee, Ryan; Krzywinski, Jacek; Reid, Alex; Moeller, Stefan; Lutman, Alberto; Öström, Henrik; Pettersson, Lars G. M.; Nilsson, Anders

doi:10.1063/1.5044579

Title: Atom-specific activation in CO oxidation

Journal Article · Fri Dec 21 00:00:00 EST 2018 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.5044579· OSTI ID:1493421

Schreck, Simon ^[1]; Diesen, Elias ^[1];

^[2];

^[3];

^[1]; Nordlund, Dennis ^[3]; Weston, Matthew ^[1];

^[4]; Cavalca, Filippo ^[1];

^[1];

^[5]; Eilert, André ^[1]; Kim, Kyung Hwan ^[1]; Coslovich, Giacomo ^[3];

^[3]; Krzywinski, Jacek ^[3];

^[3];

^[3]; Lutman, Alberto ^[3]; Öström, Henrik ^[1] more »

Stockholm Univ., Stockholm (Sweden)
Chapman Univ., Orange, CA (United States)
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)
KTH Royal Institute of Technology, Stockholm (Sweden)

Here, we report on atom-specific activation of CO oxidation on Ru(0001) via resonant X-ray excitation. We show that resonant 1s core-level excitation of atomically adsorbed oxygen in the co-adsorbed phase of CO and oxygen directly drives CO oxidation. We separate this direct resonant channel from indirectly driven oxidation via X-ray induced substrate heating. Based on density functional theory calculations, we identify the valence-excited state created by the Auger decay as the driving electronic state for direct CO oxidation. We utilized the fresh-slice multi-pulse mode at the Linac Coherent Light Source that provided time-overlapped and 30 fs delayed pairs of soft X-ray pulses and discuss the prospects of femtosecond X-ray pump X-ray spectroscopy probe, as well as X-ray two-pulse correlation measurements for fundamental investigations of chemical reactions via selective X-ray excitation.

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Research Organization:: SLAC National Accelerator Lab., Menlo Park, CA (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC02-76SF00515

OSTI ID:: 1493421

Journal Information:: Journal of Chemical Physics, Vol. 149, Issue 23; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 2 works

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