{"day":"14","publication_status":"published","status":"public","oa_version":"Published Version","date_updated":"2024-12-18T10:17:35Z","oa":1,"OA_type":"hybrid","issue":"32","intvolume":"        18","article_type":"original","abstract":[{"lang":"eng","text":"Charge transfer rates at metal/organic interfaces affect the efficiencies of devices for organic based electronics and photovoltaics. A quantitative study of electron transfer rates, which take place on the femtosecond timescale, is often difficult, especially since in most systems the molecular adsorption geometry is unknown. Here, we use X-ray resonant photoemission spectroscopy to measure ultrafast charge transfer rates across pyridine/Au(111) interfaces while also controlling the molecular orientation on the metal. We demonstrate that a bi-directional charge transfer across the molecule/metal interface is enabled upon creation of a core-exciton on the molecule with a rate that has a strong dependence on the molecular adsorption angle. Through density functional theory calculations, we show that the alignment of molecular levels relative to the metal Fermi level is dramatically altered when a core-hole is created on the molecule, allowing the lowest unoccupied molecular orbital to fall partially below the metal Fermi level. We also calculate charge transfer rates as a function of molecular adsorption geometry and find a trend that agrees with the experiment. These findings thus give insight into the charge transfer dynamics of a photo-excited molecule on a metal surface."}],"publisher":"Royal Society of Chemistry","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","page":"22140-22145","extern":"1","publication":"Physical Chemistry Chemical Physics","type":"journal_article","author":[{"last_name":"Cvetko","full_name":"Cvetko, Dean","first_name":"Dean"},{"full_name":"Fratesi, Guido","last_name":"Fratesi","first_name":"Guido"},{"first_name":"Gregor","full_name":"Kladnik, Gregor","last_name":"Kladnik"},{"first_name":"Albano","full_name":"Cossaro, Albano","last_name":"Cossaro"},{"first_name":"Gian Paolo","last_name":"Brivio","full_name":"Brivio, Gian Paolo"},{"orcid":"0000-0002-6957-6089","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","first_name":"Latha","full_name":"Venkataraman, Latha","last_name":"Venkataraman"},{"last_name":"Morgante","full_name":"Morgante, Alberto","first_name":"Alberto"}],"article_processing_charge":"Yes (in subscription journal)","doi":"10.1039/c6cp04099c","scopus_import":"1","_id":"17964","citation":{"ista":"Cvetko D, Fratesi G, Kladnik G, Cossaro A, Brivio GP, Venkataraman L, Morgante A. 2016. Ultrafast electron injection into photo-excited organic molecules. Physical Chemistry Chemical Physics. 18(32), 22140–22145.","short":"D. Cvetko, G. Fratesi, G. Kladnik, A. Cossaro, G.P. Brivio, L. Venkataraman, A. Morgante, Physical Chemistry Chemical Physics 18 (2016) 22140–22145.","apa":"Cvetko, D., Fratesi, G., Kladnik, G., Cossaro, A., Brivio, G. P., Venkataraman, L., &#38; Morgante, A. (2016). Ultrafast electron injection into photo-excited organic molecules. <i>Physical Chemistry Chemical Physics</i>. Royal Society of Chemistry. <a href=\"https://doi.org/10.1039/c6cp04099c\">https://doi.org/10.1039/c6cp04099c</a>","ama":"Cvetko D, Fratesi G, Kladnik G, et al. Ultrafast electron injection into photo-excited organic molecules. <i>Physical Chemistry Chemical Physics</i>. 2016;18(32):22140-22145. doi:<a href=\"https://doi.org/10.1039/c6cp04099c\">10.1039/c6cp04099c</a>","mla":"Cvetko, Dean, et al. “Ultrafast Electron Injection into Photo-Excited Organic Molecules.” <i>Physical Chemistry Chemical Physics</i>, vol. 18, no. 32, Royal Society of Chemistry, 2016, pp. 22140–45, doi:<a href=\"https://doi.org/10.1039/c6cp04099c\">10.1039/c6cp04099c</a>.","ieee":"D. Cvetko <i>et al.</i>, “Ultrafast electron injection into photo-excited organic molecules,” <i>Physical Chemistry Chemical Physics</i>, vol. 18, no. 32. Royal Society of Chemistry, pp. 22140–22145, 2016.","chicago":"Cvetko, Dean, Guido Fratesi, Gregor Kladnik, Albano Cossaro, Gian Paolo Brivio, Latha Venkataraman, and Alberto Morgante. “Ultrafast Electron Injection into Photo-Excited Organic Molecules.” <i>Physical Chemistry Chemical Physics</i>. Royal Society of Chemistry, 2016. <a href=\"https://doi.org/10.1039/c6cp04099c\">https://doi.org/10.1039/c6cp04099c</a>."},"publication_identifier":{"issn":["1463-9076"],"eissn":["1463-9084"]},"month":"07","year":"2016","pmid":1,"main_file_link":[{"open_access":"1","url":"https://doi.org/10.1039/C6CP04099C"}],"title":"Ultrafast electron injection into photo-excited organic molecules","date_created":"2024-09-09T09:39:29Z","quality_controlled":"1","OA_place":"publisher","external_id":{"pmid":["27444572"]},"volume":18,"language":[{"iso":"eng"}],"date_published":"2016-07-14T00:00:00Z"}