Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Jan Paul Menzel"'
Autor:
Abbigayle E. Cuomo, Sebastian Ibarraran, Sanil Sreekumar, Haote Li, Jungmin Eun, Jan Paul Menzel, Pengpeng Zhang, Frederic Buono, Jinhua J. Song, Robert H. Crabtree, Victor S. Batista, Timothy R. Newhouse
Publikováno v:
ACS Central Science, Vol 9, Iss 9, Pp 1768-1774 (2023)
Externí odkaz:
https://doaj.org/article/10372cf32c0d4552aff21780f51311e4
Autor:
Abbigayle Cuomo, Sebastian Ibarraran, Sanil Sreekumar, Haote Li, Jungmin Eun, Jan Paul Menzel, Pengpeng Zhang, Frederic Buono, Jeff Song, Robert Crabtree, Victor Batista, Timothy Newhouse
Density functional theory (DFT) has become a popular method to model transition state (TS) energies to predict enantioselectivity, but the associated errors present challenges. Machine learning has emerged as a powerful tool to model enantioselectivi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5c9bc93d0261ebaa6494ba969a2d4f0f
https://doi.org/10.26434/chemrxiv-2023-hl56r
https://doi.org/10.26434/chemrxiv-2023-hl56r
Publikováno v:
Physical Chemistry Chemical Physics, 24(1), 197-210. Royal Society of Chemistry (RSC)
Belić, J, Förster, A, Menzel, J P, Buda, F & Visscher, L 2022, ' Automated assessment of redox potentials for dyes in dye-sensitized photoelectrochemical cells ', Physical Chemistry Chemical Physics, vol. 24, no. 1, pp. 197-210 . https://doi.org/10.1039/d1cp04218a
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, 24(1), 197-210. The Royal Society of Chemistry
Belić, J, Förster, A, Menzel, J P, Buda, F & Visscher, L 2022, ' Automated assessment of redox potentials for dyes in dye-sensitized photoelectrochemical cells ', Physical Chemistry Chemical Physics, vol. 24, no. 1, pp. 197-210 . https://doi.org/10.1039/d1cp04218a
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, 24(1), 197-210. The Royal Society of Chemistry
Sustainable solutions for hydrogen production, such as dye-sensitized photoelectrochemical cells (DS-PEC), rely on the fundamental properties of its components whose modularity allows for their separate investigation. In this work, we design and exec
Autor:
Jan Paul Menzel, Yorrick Boeije, Tijmen M. A. Bakker, Jelena Belić, Joost N. H. Reek, Huub J. M. de Groot, Lucas Visscher, Francesco Buda
Publikováno v:
ChemSusChem, 15(15):e202200594. Wiley-VCH Verlag
ChemSusChem
ChemSusChem, 15(15):e202200594, 1-11. Wiley-VCH Verlag
Menzel, J P, Boeije, Y, Bakker, T M A, Belić, J, Reek, J N H, de Groot, H J M, Visscher, L & Buda, F 2022, ' In Silico Optimization of Charge Separating Dyes for Solar Energy Conversion ', ChemSusChem, vol. 15, no. 15, e202200594, pp. 1-11 . https://doi.org/10.1002/cssc.202200594
ChemSusChem
ChemSusChem, 15(15):e202200594, 1-11. Wiley-VCH Verlag
Menzel, J P, Boeije, Y, Bakker, T M A, Belić, J, Reek, J N H, de Groot, H J M, Visscher, L & Buda, F 2022, ' In Silico Optimization of Charge Separating Dyes for Solar Energy Conversion ', ChemSusChem, vol. 15, no. 15, e202200594, pp. 1-11 . https://doi.org/10.1002/cssc.202200594
Dye-Sensitized Photoelectrochemical Cells are promising devices in solar energy conversion. However, several limitations still have to be addressed, such as the major loss pathway through charge recombination at the dye-semiconductor interface. Charg
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a6eec873ba61ebeca0e03c4efc0bb4bb
https://doi.org/10.1002/cssc.202200594
https://doi.org/10.1002/cssc.202200594
Autor:
Francesco Buda, Anastasios Papadopoulos, Jelena Belić, Huub J. M. de Groot, Lucas Visscher, Jan Paul Menzel
Publikováno v:
Journal of Physical Chemistry C, 124(51), 27965-27976. American Chemical Society
Menzel, J P, Papadopoulos, A, Belić, J, de Groot, H J M, Visscher, L & Buda, F 2020, ' Photoinduced electron injection in a fully solvated dye-sensitized photoanode : A dynamical semiempirical study ', Journal of Physical Chemistry C, vol. 124, no. 51, pp. 27965-27976 . https://doi.org/10.1021/acs.jpcc.0c09551
Journal of Physical Chemistry C
Menzel, J P, Papadopoulos, A, Belić, J, de Groot, H J M, Visscher, L & Buda, F 2020, ' Photoinduced electron injection in a fully solvated dye-sensitized photoanode : A dynamical semiempirical study ', Journal of Physical Chemistry C, vol. 124, no. 51, pp. 27965-27976 . https://doi.org/10.1021/acs.jpcc.0c09551
Journal of Physical Chemistry C
Dye-sensitized solar cells and dye-sensitized photoelectrochemical cells have attracted much interest in recent years for solar energy conversion. More effort is still required to increase the efficiency of these devices, which is closely linked to t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::880348effbb778e4cdf36f02baeb9701
https://research.vu.nl/en/publications/ed9dc40e-f4c6-4876-91c3-c89926064700
https://research.vu.nl/en/publications/ed9dc40e-f4c6-4876-91c3-c89926064700
Publikováno v:
The Journal of Physical Chemistry A, 124(31), 6380-6388. American Chemical Society
Belić, J, Beek, B V, Menzel, J P, Buda, F & Visscher, L 2020, ' Systematic Computational Design and Optimization of Light Absorbing Dyes ', The Journal of Physical Chemistry A, vol. 124, no. 31, pp. 6380-6388 . https://doi.org/10.1021/acs.jpca.0c04506
Journal of Physical Chemistry A, 124, 6380-6388
The Journal of Physical Chemistry. a
Journal of Physical Chemistry A
Belić, J, Beek, B V, Menzel, J P, Buda, F & Visscher, L 2020, ' Systematic Computational Design and Optimization of Light Absorbing Dyes ', The Journal of Physical Chemistry A, vol. 124, no. 31, pp. 6380-6388 . https://doi.org/10.1021/acs.jpca.0c04506
Journal of Physical Chemistry A, 124, 6380-6388
The Journal of Physical Chemistry. a
Journal of Physical Chemistry A
We present a workflow to aid the discovery of new dyes for the role of a photosensitive unit in the dye-sensitized photo-electrochemical cells (DS-PECs). New structures are generated in a fully automated way using the Compound Attachment Tool (CAT) i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a6437a1b39485500c1a27b9d7d156076
https://research.vu.nl/en/publications/7e788abf-7f30-4ad4-8612-3df6614179cc
https://research.vu.nl/en/publications/7e788abf-7f30-4ad4-8612-3df6614179cc
Publikováno v:
Journal of Physical Chemistry Letters
Journal of Physical Chemistry Letters, 10, 6504-6511
The Journal of Physical Chemistry Letters
Journal of Physical Chemistry Letters, 10, 6504-6511
The Journal of Physical Chemistry Letters
Electron–nuclear (vibronic) coupling has emerged as an important factor in determining the efficiency of energy transfer and charge separation in natural and artificial photosynthetic systems. Here we investigate the photoinduced charge-transfer pr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a56df8ec554455d45fc611f326817bef
https://hdl.handle.net/1887/80197
https://hdl.handle.net/1887/80197
Publikováno v:
The Journal of chemical physics. 149(24)
The dissociative chemisorption of CH
Autor:
Rainer D. Beck, Helen Chadwick, Han Guo, Ana Gutiérrez-González, Jan Paul Menzel, Bret Jackson
Methane dissociation on the step and terrace sites of a Pt(211) single crystal was studied by reflection absorption infrared spectroscopy (RAIRS) at a surface temperature of 120 K. The C-H stretch RAIRS signal of the chemisorbed methyl product specie
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::daad196e49e088e54b8ac9f986370ac9
https://cronfa.swan.ac.uk/Record/cronfa56040/Download/56040__19083__9a4d25e07c6a4b379aebd6145da64f62.pdf
https://cronfa.swan.ac.uk/Record/cronfa56040/Download/56040__19083__9a4d25e07c6a4b379aebd6145da64f62.pdf
Publikováno v:
The Journal of Chemical Physics. 149:244704
The dissociative chemisorption of CH4 on the stepped Ni(211) surface is explored. The H and CH3 fragments preferentially bind to the surface along the step edge, and the barriers to dissociation are lowest over the step edge atoms, with activation en