---
_id: '13993'
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.
article_processing_charge: No
article_type: original
author:
- first_name: Xiaochun
full_name: Gong, Xiaochun
last_name: Gong
- first_name: Inga
full_name: Jordan, Inga
last_name: Jordan
- first_name: Martin
full_name: Huppert, Martin
last_name: Huppert
- first_name: Saijoscha
full_name: Heck, Saijoscha
last_name: Heck
- first_name: Denitsa Rangelova
full_name: Baykusheva, Denitsa Rangelova
id: 71b4d059-2a03-11ee-914d-dfa3beed6530
last_name: Baykusheva
- first_name: Denis
full_name: Jelovina, Denis
last_name: Jelovina
- first_name: Axel
full_name: Schild, Axel
last_name: Schild
- first_name: Hans Jakob
full_name: Wörner, Hans Jakob
last_name: Wörner
citation:
ama: 'Gong X, Jordan I, Huppert M, et al. Attosecond photoionization dynamics: from
molecules over clusters to the liquid phase. Chimia. 2022;76(6):520-528.
doi:10.2533/chimia.2022.520'
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. Chimia. Swiss Chemical Society. https://doi.org/10.2533/chimia.2022.520'
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.” Chimia. Swiss
Chemical Society, 2022. https://doi.org/10.2533/chimia.2022.520.'
ieee: 'X. Gong et al., “Attosecond photoionization dynamics: from molecules
over clusters to the liquid phase,” Chimia, vol. 76, no. 6. Swiss Chemical
Society, pp. 520–528, 2022.'
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.'
mla: 'Gong, Xiaochun, et al. “Attosecond Photoionization Dynamics: From Molecules
over Clusters to the Liquid Phase.” Chimia, vol. 76, no. 6, Swiss Chemical
Society, 2022, pp. 520–28, doi:10.2533/chimia.2022.520.'
short: X. Gong, I. Jordan, M. Huppert, S. Heck, D.R. Baykusheva, D. Jelovina, A.
Schild, H.J. Wörner, Chimia 76 (2022) 520–528.
date_created: 2023-08-09T13:08:15Z
date_published: 2022-06-29T00:00:00Z
date_updated: 2023-08-22T07:26:39Z
day: '29'
doi: 10.2533/chimia.2022.520
extern: '1'
intvolume: ' 76'
issue: '6'
keyword:
- General Medicine
- General Chemistry
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.2533/chimia.2022.520
month: '06'
oa: 1
oa_version: Published Version
page: 520-528
publication: Chimia
publication_identifier:
eissn:
- 2673-2424
issn:
- 0009-4293
publication_status: published
publisher: Swiss Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: 'Attosecond photoionization dynamics: from molecules over clusters to the liquid
phase'
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 76
year: '2022'
...
---
_id: '7334'
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. '
article_processing_charge: No
article_type: original
author:
- first_name: John
full_name: Mantzaras, John
last_name: Mantzaras
- first_name: Stefan Alexander
full_name: Freunberger, Stefan Alexander
id: A8CA28E6-CE23-11E9-AD2D-EC27E6697425
last_name: Freunberger
orcid: 0000-0003-2902-5319
- first_name: Felix N.
full_name: Büchi, Felix N.
last_name: Büchi
- first_name: Markus
full_name: Roos, Markus
last_name: Roos
- first_name: Wilhelm
full_name: Brandstätter, Wilhelm
last_name: Brandstätter
- first_name: Michel
full_name: Prestat, Michel
last_name: Prestat
- first_name: Ludwig J.
full_name: Gauckler, Ludwig J.
last_name: Gauckler
- first_name: Bernhard
full_name: Andreaus, Bernhard
last_name: Andreaus
- first_name: Faegheh
full_name: Hajbolouri, Faegheh
last_name: Hajbolouri
- first_name: Stephan M.
full_name: Senn, Stephan M.
last_name: Senn
- first_name: Dimos
full_name: Poulikakos, Dimos
last_name: Poulikakos
- first_name: Andreas K.
full_name: Chaniotis, Andreas K.
last_name: Chaniotis
- first_name: Diego
full_name: Larrain, Diego
last_name: Larrain
- first_name: Nordahl
full_name: Autissier, Nordahl
last_name: Autissier
- first_name: François
full_name: Maréchal, François
last_name: Maréchal
citation:
ama: Mantzaras J, Freunberger SA, Büchi FN, et al. Fuel cell modeling and simulations.
CHIMIA International Journal for Chemistry. 2004;58(12):857-868. doi:10.2533/000942904777677029
apa: Mantzaras, J., Freunberger, S. A., Büchi, F. N., Roos, M., Brandstätter, W.,
Prestat, M., … Maréchal, F. (2004). Fuel cell modeling and simulations. CHIMIA
International Journal for Chemistry. Swiss Chemical Society. https://doi.org/10.2533/000942904777677029
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.” CHIMIA International Journal for Chemistry. Swiss Chemical
Society, 2004. https://doi.org/10.2533/000942904777677029.
ieee: J. Mantzaras et al., “Fuel cell modeling and simulations,” CHIMIA
International Journal for Chemistry, vol. 58, no. 12. Swiss Chemical Society,
pp. 857–868, 2004.
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.
mla: Mantzaras, John, et al. “Fuel Cell Modeling and Simulations.” CHIMIA International
Journal for Chemistry, vol. 58, no. 12, Swiss Chemical Society, 2004, pp.
857–68, doi:10.2533/000942904777677029.
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.
date_created: 2020-01-15T12:24:23Z
date_published: 2004-12-01T00:00:00Z
date_updated: 2021-01-12T08:13:09Z
day: '01'
doi: 10.2533/000942904777677029
extern: '1'
intvolume: ' 58'
issue: '12'
language:
- iso: eng
month: '12'
oa_version: None
page: 857-868
publication: CHIMIA International Journal for Chemistry
publication_identifier:
issn:
- 0009-4293
publication_status: published
publisher: Swiss Chemical Society
quality_controlled: '1'
status: public
title: Fuel cell modeling and simulations
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 58
year: '2004'
...