Zobrazeno 1 - 10
of 18
pro vyhledávání: '"Heckel, Wolfgang"'
Publikováno v:
Phys. Rev. B 95, 195159 (2017)
Oxygen-deficient TiO$_2$ in the rutile structure as well as the Ti$_3$O$_5$ Magn{\'e}li phase is investigated within the charge self-consistent combination of density functional theory (DFT) with dynamical mean-field theory (DMFT). It is shown that a
Externí odkaz:
http://arxiv.org/abs/1703.05543
Autor:
Heckel, Wolfgang, Wehlau, Michael, Maisel, Sascha B., Frauenheim, Thomas, Knaup, Jan M., Müller, Stefan
Publikováno v:
Physical Review B 92, 214104 (2015)
The results of a comprehensive and systematic ab-initio based ground-state search for the structural arrangement of oxygen vacancies in rutile phase TiO$_2$ provide new insights into their memristive properties. We find that O vacancies tend to form
Externí odkaz:
http://arxiv.org/abs/1509.08412
Autor:
Sellschopp, Kai, Heckel, Wolfgang, Gäding, Johannes, Schröter, Clemens Jasper, Hensel, Andreas, Vossmeyer, Tobias, Weller, Horst, Müller, Stefan, Feldbauer, Gregor B.
Publikováno v:
The Journal of Chemical Physics 6 (152): 064702 (2020)
The ability to synthesize nanoparticles (NPs), here TiO2, of different shapes in a controlled and reproducible way is of high significance for a wide range of fields including catalysis and materials design. Different NP shapes exhibit variations of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::1535bf6cbfb7dfb2747959d27005eabc
https://publica.fraunhofer.de/handle/publica/265277
https://publica.fraunhofer.de/handle/publica/265277
Autor:
W��rger, Tim, Heckel, Wolfgang, Sellschopp, Kai, M��ller, Stefan, Stierle, Andreas, Wang, Yuemin, Noei, Heshmat, Feldbauer, Gregor
Publikováno v:
Journal of Physical Chemistry C 34 (122): 19481-19490 (2018-08-30)
Wuerger, T.; Heckel, W.; Sellschopp, K.; Mueller, S.; Stierle, A.; Wang, Y.; Noei, H.; Feldbauer, G.: Adsorption of Acetone on Rutile TiO2: A DFT and FTIRS Study. In: The Journal of Physical Chemistry C. Vol. 122 (2018) 34, 19481-19490. (DOI: /10.1021/acs.jpcc.8b04222)
Wuerger, T.; Heckel, W.; Sellschopp, K.; Mueller, S.; Stierle, A.; Wang, Y.; Noei, H.; Feldbauer, G.: Adsorption of Acetone on Rutile TiO2: A DFT and FTIRS Study. In: The Journal of Physical Chemistry C. Vol. 122 (2018) 34, 19481-19490. (DOI: /10.1021/acs.jpcc.8b04222)
Acetone adsorbed on rutile TiO 2 nanoparticles was investigated with respect to its energetic, vibrational, and chemical properties. Temperature-dependent ultrahigh-vacuum Fourier transform infrared spectroscopy measurements for different acetone dos
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a678245c9e9cb76f5c1f64f5facb78cb
https://hdl.handle.net/11420/2547
https://hdl.handle.net/11420/2547
Autor:
Würger, Tim, Heckel, Wolfgang, Sellschopp, Kai, Müller, Stefan, Stierle, Andreas, Wang, Yuemin, Noei, Heshmat, Feldbauer, Gregor
Publikováno v:
The journal of physical chemistry / C 122(34), 19481 – 19490 (2018). doi:10.1021/acs.jpcc.8b04222
The journal of physical chemistry / C 122(34), 19481 – 19490 (2018). doi:10.1021/acs.jpcc.8b04222
Acetone adsorbed on rutile TiO$_2$ nanoparticles was investigated with respect to its energetic, vibrational, and chemical properties. Temperatur
Acetone adsorbed on rutile TiO$_2$ nanoparticles was investigated with respect to its energetic, vibrational, and chemical properties. Temperatur
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c2406362893a4af7131d4c61af93d00b
https://bib-pubdb1.desy.de/record/408798
https://bib-pubdb1.desy.de/record/408798
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Autor:
Heckel, Wolfgang, Wehlau, Michael, Maisel, Sascha B., Frauenheim, Thomas, Knaup, Jan M., M��ller, Stefan
The results of a comprehensive and systematic ab-initio based ground-state search for the structural arrangement of oxygen vacancies in rutile phase TiO$_2$ provide new insights into their memristive properties. We find that O vacancies tend to form
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b8806348cf414355e892177bfd626892
Publikováno v:
The Journal of Physical Chemistry - Part C; 20240101, Issue: Preprints
