Modelling of modified carbon-based materials for hydrogen storage
2012/07/B/ST4/01584
Keywords
Descriptors
- ST4_5: Chemia i fizykochemia powierzchni
- ST4_4: Struktura i architektura molekularna
Panel
ST4 – Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development
Host institution
Politechnika Wrocławska, Wydział Chemiczny
Voivodeship: dolnośląskie
Principal investigator (from the host institution)
Number of co-investigators in the project: 4
Call
OPUS 4 – announced on 2012-09-15
- Amount awarded
- 279 840 PLN
- Project start date
- 2013-07-29
- Project end date
- 2017-07-28
- Project duration
- 48 months (the same as in the proposal)
- Project status
- Project settled
Equipment purchased [PL]
- wielordzeniowy serwer obliczeniowy z dużą ilością pamięci RAM. Cost: 10 947 PLN
Information in the final report
Publication in academic press/journals (4)
-
s-Block metallabenzene: aromaticity and hydrogen adsorption
- Authors:
- R. Roszak, S. Roszak
- Academic press:
- Journal Molecular Modeling (year: 2015, volume: 21, pages: 2552-2556), Publisher: Springer
- Status:
- Published
- DOI:
- 10.1007/s00894-014-2552-6 – link to the publication
-
Hydrogen storage by adsorption in porous materials: Is it possible?
- Authors:
- Rafal Roszak, Lucyna Firlej, Szczepan Roszak, Peter Pfeifer, Bogdan Kuchta
- Academic press:
- Colloids and Surfaces A: Physicochemical and Engineering Aspects (year: 2016, volume: 496, pages: 69-76), Publisher: Elsevier
- Status:
- Published
- DOI:
- 10.1016/j.colsurfa.2015.10.046 – link to the publication
-
Oxidation properties of b-substituted pyrroles
- Authors:
- Tomasz Buchała, Anna Chudoba, Szczepan Roszak
- Academic press:
- Structural Chemistry (year: 2016, volume: 27, pages: 185-189), Publisher: Springer
- Status:
- Published
- DOI:
- 10.1007/s11224-015-0709-2 – link to the publication
-
Unique bonding nature of carbon-substituted Be2 dimer inside the carbon (sp2) network
- Authors:
- R. Roszak, S. Roszak, D. Majumdar, L. Firlej, B. Kuchta, J. Leszczynski
- Academic press:
- The Journal of Physical Chemistry A (year: 2014, volume: 118, pages: 5727-5733), Publisher: ACS
- Status:
- Published
- DOI:
- 10.1021/jp504618h – link to the publication