Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

Keywords

Equipment

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Modelling of modified carbon-based materials for hydrogen storage

2012/07/B/ST4/01584

Keywords:

hydrogen storage doped carbon-based materials

Descriptors:

  • ST4_5: Analytical chemistry
  • ST4_4: Theoretical and computational chemistry

Panel:

ST4 - Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development

Host institution :

Politechnika Wrocławska, Wydział Chemiczny

woj. dolnośląskie

Other projects carried out by the institution 

Principal investigator (from the host institution):

prof. Szczepan Roszak 

Number of co-investigators in the project: 4

Call: OPUS 4 - announced on 2012-09-15

Amount awarded: 279 840 PLN

Project start date (Y-m-d): 2013-07-29

Project end date (Y-m-d): 2017-07-28

Project duration:: 48 months (the same as in the proposal)

Project status: Project settled

Equipment purchased [PL]

  1. wielordzeniowy serwer obliczeniowy z dużą ilością pamięci RAM (10 947 PLN)

Information in the final report

  • Publication in academic press/journals (4)
  1. 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 (rok: 2016, tom: 496, strony: 69-76), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.046 - link to the publication
  2. 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 (rok: 2014, tom: 118, strony: 5727-5733), Wydawca: ACS
    Status:
    Published
    DOI:
    10.1021/jp504618h - link to the publication
  3. s-Block metallabenzene: aromaticity and hydrogen adsorption
    Authors:
    R. Roszak, S. Roszak
    Academic press:
    Journal Molecular Modeling (rok: 2015, tom: 21, strony: 2552-2556), Wydawca: Springer
    Status:
    Published
    DOI:
    10.1007/s00894-014-2552-6 - link to the publication
  4. Oxidation properties of b-substituted pyrroles
    Authors:
    Tomasz Buchała, Anna Chudoba, Szczepan Roszak
    Academic press:
    Structural Chemistry (rok: 2016, tom: 27, strony: 185-189), Wydawca: Springer
    Status:
    Published
    DOI:
    10.1007/s11224-015-0709-2 - link to the publication

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