Cover Image

Why ultrafast photoinduced CO desorption dominates over oxidation on Ru(0001)

CO oxidation on Ru(0001) is a long-standing example of a reaction that, being thermally forbidden in ultrahigh vacuum, can be activated by femtosecond laser pulses. In spite of its relevance, the precise dynamics of the photoinduced oxidation process as well as the reasons behind the dominant role o...

Full description

Saved in:
Bibliographic Details
Main Authors: Tetenoire, Auguste (Author) , Ehlert, Christopher (Author) , Juaristi, J. I. (Author) , Saalfrank, Peter (Author) , Alducin, M. (Author)
Format: Article (Journal)
Language:English
Published: September 6, 2022
In: The journal of physical chemistry letters
Year: 2022, Volume: 13, Issue: 36, Pages: 8516-8521
ISSN:1948-7185
DOI:10.1021/acs.jpclett.2c02327
Online Access:Verlag, lizenzpflichtig, Volltext: https://doi.org/10.1021/acs.jpclett.2c02327
Verlag, lizenzpflichtig, Volltext: https://pubs.acs.org/doi/10.1021/acs.jpclett.2c02327
Get full text
Author Notes:Auguste Tetenoire, Christopher Ehlert, J.I. Juaristi, Peter Saalfrank, and M. Alducin

MARC

LEADER 00000caa a2200000 c 4500
001 1823817076
003 DE-627
005 20231102145340.0
007 cr uuu---uuuuu
008 221129s2022 xx |||||o 00| ||eng c
024 7 |a 10.1021/acs.jpclett.2c02327  |2 doi 
035 |a (DE-627)1823817076 
035 |a (DE-599)KXP1823817076 
035 |a (OCoLC)1361670237 
040 |a DE-627  |b ger  |c DE-627  |e rda 
041 |a eng 
084 |a 30  |2 sdnb 
100 1 |a Tetenoire, Auguste  |e VerfasserIn  |0 (DE-588)1308391846  |0 (DE-627)1869015681  |4 aut 
245 1 0 |a Why ultrafast photoinduced CO desorption dominates over oxidation on Ru(0001)  |c Auguste Tetenoire, Christopher Ehlert, J.I. Juaristi, Peter Saalfrank, and M. Alducin 
264 1 |c September 6, 2022 
300 |a 6 
336 |a Text  |b txt  |2 rdacontent 
337 |a Computermedien  |b c  |2 rdamedia 
338 |a Online-Ressource  |b cr  |2 rdacarrier 
500 |a Gesehen am 29.11.2022 
520 |a CO oxidation on Ru(0001) is a long-standing example of a reaction that, being thermally forbidden in ultrahigh vacuum, can be activated by femtosecond laser pulses. In spite of its relevance, the precise dynamics of the photoinduced oxidation process as well as the reasons behind the dominant role of the competing CO photodesorption remain unclear. Here we use ab initio molecular dynamics with electronic friction that account for the highly excited and nonequilibrated system created by the laser to investigate both reactions. Our simulations successfully reproduce the main experimental findings: the existence of photoinduced oxidation and desorption, the large desorption to oxidation branching ratio, and the changes in the O K-edge X-ray absorption spectra attributed to the initial stage of the oxidation process. Now, we are able to monitor in detail the ultrafast CO desorption and CO oxidation occurring in the highly excited system and to disentangle what causes the unexpected inertness to the otherwise energetically favored oxidation. 
700 1 |a Ehlert, Christopher  |e VerfasserIn  |0 (DE-588)1149761156  |0 (DE-627)1010058037  |0 (DE-576)496820281  |4 aut 
700 1 |a Juaristi, J. I.  |e VerfasserIn  |4 aut 
700 1 |a Saalfrank, Peter  |e VerfasserIn  |0 (DE-588)1166265234  |0 (DE-627)1030279756  |0 (DE-576)510700446  |4 aut 
700 1 |a Alducin, M.  |e VerfasserIn  |4 aut 
773 0 8 |i Enthalten in  |t The journal of physical chemistry letters  |d Washington, DC : ACS, 2010  |g 13(2022), 36, Seite 8516-8521  |h Online-Ressource  |w (DE-627)612168581  |w (DE-600)2522838-9  |w (DE-576)315319089  |x 1948-7185  |7 nnas  |a Why ultrafast photoinduced CO desorption dominates over oxidation on Ru(0001) 
773 1 8 |g volume:13  |g year:2022  |g number:36  |g pages:8516-8521  |g extent:6  |a Why ultrafast photoinduced CO desorption dominates over oxidation on Ru(0001) 
856 4 0 |u https://doi.org/10.1021/acs.jpclett.2c02327  |x Verlag  |x Resolving-System  |z lizenzpflichtig  |3 Volltext 
856 4 0 |u https://pubs.acs.org/doi/10.1021/acs.jpclett.2c02327  |x Verlag  |z lizenzpflichtig  |3 Volltext 
951 |a AR 
992 |a 20221129 
993 |a Article 
994 |a 2022 
998 |g 1149761156  |a Ehlert, Christopher  |m 1149761156:Ehlert, Christopher  |d 700000  |d 708000  |e 700000PE1149761156  |e 708000PE1149761156  |k 0/700000/  |k 1/700000/708000/  |p 2 
999 |a KXP-PPN1823817076  |e 4221313870 
BIB |a Y 
SER |a journal 
JSO |a {"origin":[{"dateIssuedKey":"2022","dateIssuedDisp":"September 6, 2022"}],"id":{"eki":["1823817076"],"doi":["10.1021/acs.jpclett.2c02327"]},"name":{"displayForm":["Auguste Tetenoire, Christopher Ehlert, J.I. Juaristi, Peter Saalfrank, and M. Alducin"]},"physDesc":[{"extent":"6 S."}],"relHost":[{"title":[{"title":"The journal of physical chemistry letters","title_sort":"journal of physical chemistry letters"}],"pubHistory":["1.2010 -"],"part":{"year":"2022","pages":"8516-8521","issue":"36","text":"13(2022), 36, Seite 8516-8521","volume":"13","extent":"6"},"titleAlt":[{"title":"JPCLett"}],"disp":"Why ultrafast photoinduced CO desorption dominates over oxidation on Ru(0001)The journal of physical chemistry letters","note":["Gesehen am 02.01.2013"],"type":{"bibl":"periodical","media":"Online-Ressource"},"recId":"612168581","language":["eng"],"origin":[{"publisherPlace":"Washington, DC","dateIssuedKey":"2010","publisher":"ACS","dateIssuedDisp":"2010-"}],"id":{"issn":["1948-7185"],"zdb":["2522838-9"],"eki":["612168581"]},"name":{"displayForm":["American Chemical Society"]},"physDesc":[{"extent":"Online-Ressource"}]}],"title":[{"title":"Why ultrafast photoinduced CO desorption dominates over oxidation on Ru(0001)","title_sort":"Why ultrafast photoinduced CO desorption dominates over oxidation on Ru(0001)"}],"person":[{"family":"Tetenoire","given":"Auguste","roleDisplay":"VerfasserIn","display":"Tetenoire, Auguste","role":"aut"},{"given":"Christopher","family":"Ehlert","role":"aut","display":"Ehlert, Christopher","roleDisplay":"VerfasserIn"},{"given":"J. I.","family":"Juaristi","role":"aut","display":"Juaristi, J. I.","roleDisplay":"VerfasserIn"},{"role":"aut","roleDisplay":"VerfasserIn","display":"Saalfrank, Peter","given":"Peter","family":"Saalfrank"},{"given":"M.","family":"Alducin","role":"aut","roleDisplay":"VerfasserIn","display":"Alducin, M."}],"type":{"bibl":"article-journal","media":"Online-Ressource"},"note":["Gesehen am 29.11.2022"],"language":["eng"],"recId":"1823817076"} 
SRT |a TETENOIREAWHYULTRAFA6202 

Similar Items