Projects funded by the NCN
Properties of chromium(VI), molybdenum(VI) and tungsten(VI) monomeric oxo species on amorphous silica and Al-modified silica from periodic DFT simulations.
2011/03/B/ST4/01223
Keywords:
molybdenum oxide tungsten oxide amorphous silica DFT
Descriptors:
- ST4_15: Colloid chemistry
- ST4_5: Analytical chemistry
- ST4_12: Photochemistry
Panel:
ST4 - Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development
Host institution :
Instytut Katalizy i Fizykochemii Powierzchni im. Jerzego Habera PAN
woj. małopolskie
Principal investigator (from the host institution):
Number of co-investigators in the project: 2
Call: OPUS 2 - announced on 2011-09-15
Amount awarded: 211 740 PLN
Project start date (Y-m-d): 2012-08-21
Project end date (Y-m-d): 2014-08-20
Project duration:: 24 months (the same as in the proposal)
Project status: Project settled
Equipment purchased [PL]
- Serwery Single Blade (30 000 PLN)
Information in the final report
- Publication in academic press/journals (2)
- Characterization of molybdenum monomeric oxide species supported on hydroxylated silica: a DFT studyAuthors:Hazar Guesmi, Robert Grybos, Jarosław Handzlik, Frederik TielensAcademic press:Physical Chemistry Chemical Physics (rok: 2014, tom: 16, strony: 18253-18260), Wydawca: Royal Society of ChemistryStatus:PublishedDOI:10.1039/c4cp02296c - link to the publication
- Characterization of tungsten monomeric oxide species supported on hydroxylated silica; a DFT studyAuthors:Hazar Guesmi, Robert Grybos, Jarosław Handzlik and Frederik TielensAcademic press:RSC Advances (rok: 2016, tom: 6, strony: 39424-39432), Wydawca: The Royal Society of ChemistryStatus:PublishedDOI:10.1039/c6ra05395e - link to the publication