Zobrazeno 1 - 10
of 24
pro vyhledávání: '"Daniela Künzel"'
Autor:
Daniela Künzel, Axel Groß
Publikováno v:
Beilstein Journal of Nanotechnology, Vol 4, Iss 1, Pp 269-277 (2013)
The effect of solvation on the adsorption of organic molecules on graphite at room temperature has been addressed with force-field molecular dynamics simulations. As a model system, the solvation of a bis(terpyridine) isomer in water and 1,2,4-trichl
Externí odkaz:
https://doaj.org/article/a22e189e8f904e3a9f970848630e20df
Publikováno v:
Beilstein Journal of Nanotechnology, Vol 2, Iss 1, Pp 394-404 (2011)
The accuracy of multislice high-resolution transmission electron microscopy (HRTEM) simulation can be improved by calculating the scattering potential using density functional theory (DFT) . This approach accounts for the fact that electrons in the s
Externí odkaz:
https://doaj.org/article/18ee1871ea16492c94962e9690ad5418
Autor:
Daniel Caterbow, Daniela Künzel, Michael G. Mavros, Axel Groß, Katharina Landfester, Ulrich Ziener
Publikováno v:
Beilstein Journal of Nanotechnology, Vol 2, Iss 1, Pp 405-415 (2011)
The position of the peripheral nitrogen atoms in bis(terpyridine)-derived oligopyridines (BTPs) has a strong impact on their self-assembly behavior at the liquid/HOPG (highly oriented pyrolytic graphite) interface. The intermolecular hydrogen bonding
Externí odkaz:
https://doaj.org/article/05086fe729a14f8fa0f02be0150c1c32
Publikováno v:
Beilstein Journal of Nanotechnology, Vol 2, Iss 1, Pp 365-373 (2011)
The competition between intermolecular interactions and long-range lateral variations in the substrate–adsorbate interaction was studied by scanning tunnelling microscopy (STM) and force field based calculations, by comparing the phase formation of
Externí odkaz:
https://doaj.org/article/10ae60c9e6bd42ddb41d4e714157401b
Publikováno v:
Chemical Geology
Element partitioning is a key geochemical process. While partition coefficients between phases including melts have been measured in many experimental studies, new insight into the mechanisms of partitioning may be obtained by relating partitioning t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::077d2184362af2c73ed489c6fa677899
https://doi.org/10.1016/j.chemgeo.2016.10.028
https://doi.org/10.1016/j.chemgeo.2016.10.028
Publikováno v:
Physical Chemistry Chemical Physics. 18:6668-6675
A new cyano substituted bis(terpyridine) derivative CN-BTP was synthesized and its adsorption on highly oriented pyrolytic graphite (HOPG) and Au(111) was investigated. CN-BTP is closely related to the previously investigated 2,4'-BTP, where the cyan
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5b97e541315b5939a8f148b8d77a6e0d
https://doi.org/10.1039/c5cp07853a
https://doi.org/10.1039/c5cp07853a
Autor:
Axel Groß, Daniela Künzel
Publikováno v:
Beilstein Journal of Nanotechnology, Vol 4, Iss 1, Pp 269-277 (2013)
Beilstein Journal of Nanotechnology
Beilstein Journal of Nanotechnology
The effect of solvation on the adsorption of organic molecules on graphite at room temperature has been addressed with force-field molecular dynamics simulations. As a model system, the solvation of a bis(terpyridine) isomer in water and 1,2,4-trichl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ccad76966f1a5aeccfc62f0698e05b5b
https://doaj.org/article/a22e189e8f904e3a9f970848630e20df
https://doaj.org/article/a22e189e8f904e3a9f970848630e20df
Autor:
Julia Pohlenz, S. Pascarelli, O. Mathon, A. D. Rosa, S. Belin, G. Landrot, A. Shiryaev, V. Murzin, A. Veligzhanin, Johannes Wagner, Daniela Künzel, T. Irifune, M. Wilke
Publikováno v:
Book of Abstracts
2nd European Mineralogical Conference#
2nd European Mineralogical Conference#
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::12770751d6976ecadaf80c4eb1602b72
https://gfzpublic.gfz-potsdam.de/pubman/item/item_1768894
https://gfzpublic.gfz-potsdam.de/pubman/item/item_1768894
Publikováno v:
Journal of the American Chemical Society. 134:8817-8822
The reaction of O(2) with an adlayer of the oligopyridine 2-phenyl-4,6-bis(6-(pyridine-2-yl)-4-(pyridine-4-yl)-pyridine-2-yl)pyrimidine (2,4'-BTP), adsorbed on the (111) surfaces of silver and gold and on HOPG--which can be considered as a model syst
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b455d01abfe8ae839a0a1fef3f164d20
https://doi.org/10.1021/ja302593v
https://doi.org/10.1021/ja302593v
Publikováno v:
Beilstein Journal of Nanotechnology
Beilstein Journal of Nanotechnology, Vol 2, Iss 1, Pp 365-373 (2011)
Beilstein Journal of Nanotechnology, Vol 2, Iss 1, Pp 365-373 (2011)
The competition between intermolecular interactions and long-range lateral variations in the substrate–adsorbate interaction was studied by scanning tunnelling microscopy (STM) and force field based calculations, by comparing the phase formation of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::50f6fbecdf8671eb0a38c47863a69fce
http://europepmc.org/articles/PMC3190608
http://europepmc.org/articles/PMC3190608