[{"scopus_import":"1","_id":"13993","issue":"6","author":[{"full_name":"Gong, Xiaochun","last_name":"Gong","first_name":"Xiaochun"},{"last_name":"Jordan","first_name":"Inga","full_name":"Jordan, Inga"},{"full_name":"Huppert, Martin","last_name":"Huppert","first_name":"Martin"},{"full_name":"Heck, Saijoscha","last_name":"Heck","first_name":"Saijoscha"},{"first_name":"Denitsa Rangelova","last_name":"Baykusheva","full_name":"Baykusheva, Denitsa Rangelova","id":"71b4d059-2a03-11ee-914d-dfa3beed6530"},{"first_name":"Denis","last_name":"Jelovina","full_name":"Jelovina, Denis"},{"last_name":"Schild","first_name":"Axel","full_name":"Schild, Axel"},{"full_name":"Wörner, Hans Jakob","last_name":"Wörner","first_name":"Hans Jakob"}],"article_processing_charge":"No","date_created":"2023-08-09T13:08:15Z","publication_status":"published","intvolume":"        76","title":"Attosecond photoionization dynamics: from molecules over clusters to the liquid phase","quality_controlled":"1","page":"520-528","publisher":"Swiss Chemical Society","article_type":"original","citation":{"short":"X. Gong, I. Jordan, M. Huppert, S. Heck, D.R. Baykusheva, D. Jelovina, A. Schild, H.J. Wörner, Chimia 76 (2022) 520–528.","mla":"Gong, Xiaochun, et al. “Attosecond Photoionization Dynamics: From Molecules over Clusters to the Liquid Phase.” <i>Chimia</i>, vol. 76, no. 6, Swiss Chemical Society, 2022, pp. 520–28, doi:<a href=\"https://doi.org/10.2533/chimia.2022.520\">10.2533/chimia.2022.520</a>.","ista":"Gong X, Jordan I, Huppert M, Heck S, Baykusheva DR, Jelovina D, Schild A, Wörner HJ. 2022. Attosecond photoionization dynamics: from molecules over clusters to the liquid phase. Chimia. 76(6), 520–528.","apa":"Gong, X., Jordan, I., Huppert, M., Heck, S., Baykusheva, D. R., Jelovina, D., … Wörner, H. J. (2022). Attosecond photoionization dynamics: from molecules over clusters to the liquid phase. <i>Chimia</i>. Swiss Chemical Society. <a href=\"https://doi.org/10.2533/chimia.2022.520\">https://doi.org/10.2533/chimia.2022.520</a>","ama":"Gong X, Jordan I, Huppert M, et al. Attosecond photoionization dynamics: from molecules over clusters to the liquid phase. <i>Chimia</i>. 2022;76(6):520-528. doi:<a href=\"https://doi.org/10.2533/chimia.2022.520\">10.2533/chimia.2022.520</a>","chicago":"Gong, Xiaochun, Inga Jordan, Martin Huppert, Saijoscha Heck, Denitsa Rangelova Baykusheva, Denis Jelovina, Axel Schild, and Hans Jakob Wörner. “Attosecond Photoionization Dynamics: From Molecules over Clusters to the Liquid Phase.” <i>Chimia</i>. Swiss Chemical Society, 2022. <a href=\"https://doi.org/10.2533/chimia.2022.520\">https://doi.org/10.2533/chimia.2022.520</a>.","ieee":"X. Gong <i>et al.</i>, “Attosecond photoionization dynamics: from molecules over clusters to the liquid phase,” <i>Chimia</i>, vol. 76, no. 6. Swiss Chemical Society, pp. 520–528, 2022."},"year":"2022","date_updated":"2023-08-22T07:26:39Z","day":"29","doi":"10.2533/chimia.2022.520","abstract":[{"lang":"eng","text":"Photoionization is a process taking place on attosecond time scales. How its properties evolve from isolated particles to the condensed phase is an open question of both fundamental and practical relevance. Here, we review recent work that has advanced the study of photoionization dynamics from atoms to molecules, clusters and the liquid phase. The first measurements of molecular photoionization delays have revealed the attosecond dynamics of electron emission from a molecular shape resonance and their sensitivity to the molecular potential. Using electron-ion coincidence spectroscopy these measurements have been extended from isolated molecules to clusters. A continuous increase of the delays with the water-cluster size has been observed up to a size of 4-5 molecules, followed by a saturation towards larger clusters. Comparison with calculations has revealed a correlation of the time delay with the spatial extension of the created electron hole. Using cylindrical liquid-microjet techniques, these measurements have also been extended to liquid water, revealing a delay relative to isolated water molecules that was very similar to the largest water clusters studied. Detailed modeling based on Monte-Carlo simulations confirmed that these delays are dominated by the contributions of the first two solvation shells, which agrees with the results of the cluster measurements. These combined results open the perspective of experimentally characterizing the delocalization of electronic wave functions in complex systems and studying their evolution on attosecond time scales."}],"volume":76,"extern":"1","publication":"Chimia","oa_version":"Published Version","month":"06","keyword":["General Medicine","General Chemistry"],"language":[{"iso":"eng"}],"type":"journal_article","date_published":"2022-06-29T00:00:00Z","publication_identifier":{"eissn":["2673-2424"],"issn":["0009-4293"]},"oa":1,"main_file_link":[{"url":"https://doi.org/10.2533/chimia.2022.520","open_access":"1"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","status":"public"},{"quality_controlled":"1","page":"857-868","language":[{"iso":"eng"}],"publisher":"Swiss Chemical Society","article_type":"original","publication":"CHIMIA International Journal for Chemistry","_id":"7334","issue":"12","author":[{"last_name":"Mantzaras","first_name":"John","full_name":"Mantzaras, John"},{"id":"A8CA28E6-CE23-11E9-AD2D-EC27E6697425","first_name":"Stefan Alexander","last_name":"Freunberger","orcid":"0000-0003-2902-5319","full_name":"Freunberger, Stefan Alexander"},{"last_name":"Büchi","first_name":"Felix N.","full_name":"Büchi, Felix N."},{"first_name":"Markus","last_name":"Roos","full_name":"Roos, Markus"},{"last_name":"Brandstätter","first_name":"Wilhelm","full_name":"Brandstätter, Wilhelm"},{"last_name":"Prestat","first_name":"Michel","full_name":"Prestat, Michel"},{"full_name":"Gauckler, Ludwig J.","last_name":"Gauckler","first_name":"Ludwig J."},{"last_name":"Andreaus","first_name":"Bernhard","full_name":"Andreaus, Bernhard"},{"full_name":"Hajbolouri, Faegheh","last_name":"Hajbolouri","first_name":"Faegheh"},{"full_name":"Senn, Stephan M.","last_name":"Senn","first_name":"Stephan M."},{"last_name":"Poulikakos","first_name":"Dimos","full_name":"Poulikakos, Dimos"},{"full_name":"Chaniotis, Andreas K.","last_name":"Chaniotis","first_name":"Andreas K."},{"full_name":"Larrain, Diego","first_name":"Diego","last_name":"Larrain"},{"full_name":"Autissier, Nordahl","first_name":"Nordahl","last_name":"Autissier"},{"last_name":"Maréchal","first_name":"François","full_name":"Maréchal, François"}],"date_created":"2020-01-15T12:24:23Z","article_processing_charge":"No","publication_status":"published","oa_version":"None","intvolume":"        58","month":"12","title":"Fuel cell modeling and simulations","volume":58,"status":"public","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","extern":"1","citation":{"short":"J. Mantzaras, S.A. Freunberger, F.N. Büchi, M. Roos, W. Brandstätter, M. Prestat, L.J. Gauckler, B. Andreaus, F. Hajbolouri, S.M. Senn, D. Poulikakos, A.K. Chaniotis, D. Larrain, N. Autissier, F. Maréchal, CHIMIA International Journal for Chemistry 58 (2004) 857–868.","mla":"Mantzaras, John, et al. “Fuel Cell Modeling and Simulations.” <i>CHIMIA International Journal for Chemistry</i>, vol. 58, no. 12, Swiss Chemical Society, 2004, pp. 857–68, doi:<a href=\"https://doi.org/10.2533/000942904777677029\">10.2533/000942904777677029</a>.","ista":"Mantzaras J, Freunberger SA, Büchi FN, Roos M, Brandstätter W, Prestat M, Gauckler LJ, Andreaus B, Hajbolouri F, Senn SM, Poulikakos D, Chaniotis AK, Larrain D, Autissier N, Maréchal F. 2004. Fuel cell modeling and simulations. CHIMIA International Journal for Chemistry. 58(12), 857–868.","apa":"Mantzaras, J., Freunberger, S. A., Büchi, F. N., Roos, M., Brandstätter, W., Prestat, M., … Maréchal, F. (2004). Fuel cell modeling and simulations. <i>CHIMIA International Journal for Chemistry</i>. Swiss Chemical Society. <a href=\"https://doi.org/10.2533/000942904777677029\">https://doi.org/10.2533/000942904777677029</a>","ama":"Mantzaras J, Freunberger SA, Büchi FN, et al. Fuel cell modeling and simulations. <i>CHIMIA International Journal for Chemistry</i>. 2004;58(12):857-868. doi:<a href=\"https://doi.org/10.2533/000942904777677029\">10.2533/000942904777677029</a>","ieee":"J. Mantzaras <i>et al.</i>, “Fuel cell modeling and simulations,” <i>CHIMIA International Journal for Chemistry</i>, vol. 58, no. 12. Swiss Chemical Society, pp. 857–868, 2004.","chicago":"Mantzaras, John, Stefan Alexander Freunberger, Felix N. Büchi, Markus Roos, Wilhelm Brandstätter, Michel Prestat, Ludwig J. Gauckler, et al. “Fuel Cell Modeling and Simulations.” <i>CHIMIA International Journal for Chemistry</i>. Swiss Chemical Society, 2004. <a href=\"https://doi.org/10.2533/000942904777677029\">https://doi.org/10.2533/000942904777677029</a>."},"year":"2004","date_updated":"2021-01-12T08:13:09Z","type":"journal_article","date_published":"2004-12-01T00:00:00Z","publication_identifier":{"issn":["0009-4293"]},"day":"01","doi":"10.2533/000942904777677029","abstract":[{"lang":"eng","text":"Fundamental and phenomenological models for cells, stacks, and complete systems of PEFC and SOFC are reviewed and their predictive power is assessed by comparing model simulations against experiments. Computationally efficient models suited for engineering design include the (1+1) dimensionality approach, which decouples the membrane in-plane and through-plane processes, and the volume-averaged-method (VAM) that considers only the lumped effect of pre-selected system components. The former model was shown to capture the measured lateral current density inhomogeneities in a PEFC and the latter was used for the optimization of commercial SOFC systems. State Space Modeling (SSM) was used to identify the main reaction pathways in SOFC and, in conjunction with the implementation of geometrically well-defined electrodes, has opened a new direction for the understanding of electrochemical reactions. Furthermore, SSM has advanced the understanding of the COpoisoning-induced anode impedance in PEFC. Detailed numerical models such as the Lattice Boltzmann (LB) method for transport in porous media and the full 3-D Computational Fluid Dynamics (CFD) Navier-Stokes simulations are addressed. These models contain all components of the relevant physics and they can improve the understanding of the related phenomena, a necessary condition for the development of both appropriate simplified models as well as reliable technologies. Within the LB framework, a technique for the characterization and computer-reconstruction of the porous electrode structure was developed using advanced pattern recognition algorithms. In CFD modeling, 3-D simulations were used to investigate SOFC with internal methane steam reforming and have exemplified the significance of porous and novel fractal channel distributors for the fuel and oxidant delivery, as well as for the cooling of PEFC. As importantly, the novel concept has been put forth of functionally designed, fractal-shaped fuel cells, showing promise of significant performance improvements over the conventional rectangular shaped units. Thermo-economic modeling for the optimization of PEFC is finally addressed. "}]}]