Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

Keywords

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Novel ordered nanoporous catalysts for olefin metathesis - surface species structure and reaction mechanism by experiment and theory

2015/19/B/ST4/01836

Keywords:

olefin metathesis active sites density functional theory reaction pathways ordered nanoporous materials molybdenum tungsten spectroscopy

Descriptors:

  • ST4_14: Catalysis
  • ST4_15: Colloid chemistry
  • ST5_18:

Panel:

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

Host institution :

Politechnika Krakowska im. Tadeusza Kościuszki, Wydział Inżynierii i Technologii Chemicznej

woj. małopolskie

Other projects carried out by the institution 

Principal investigator (from the host institution):

prof. Jarosław Handzlik 

Number of co-investigators in the project: 8

Call: OPUS 10 - announced on 2015-09-15

Amount awarded: 625 000 PLN

Project start date (Y-m-d): 2016-07-22

Project end date (Y-m-d): 2020-01-21

Project duration:: 42 months (the same as in the proposal)

Project status: Project settled

Project description

Download the project description in a pdf file

Note - project descriptions were prepared by the authors of the applications themselves and placed in the system in an unchanged form.

Equipment purchased [PL]

  1. Chromatograf gazowy (100 000 PLN)
  2. Zestaw serwerów obliczeniowych (80 000 PLN)
  3. Mieszadło mechaniczne (6 000 PLN)
  4. Piec muflowy (45 000 PLN)
  5. Waga analityczna (10 000 PLN)

Information in the final report

  • Publication in academic press/journals (6)
  1. Hydration in silica based mesoporous materials: a DFT model
    Authors:
    Maciej Gierada, Ivan Petit, Jarosław Handzlik, Frederik Tielens
    Academic press:
    Physical Chemistry Chemical Physics (rok: 2016, tom: 18, strony: 32962-32972), Wydawca: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/c6cp05460a - link to the publication
  2. Computational Insights into Active Site Formation during Alkene Metathesis over a MoOx/SiO2 Catalyst: The Role of Surface Silanols
    Authors:
    Jarosław Handzlik, Kamil Kurleto, Maciej Gierada
    Academic press:
    ACS Catalysis (rok: 2021, tom: 11, strony: 13575-13590), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acscatal.1c03912 - link to the publication
  3. Simple and Efficient Way of Molybdenum Oxide-Based Catalyst Activation for Olefins Metathesis by Methane Pretreatment
    Authors:
    Piotr Michorczyk, Adam Węgrzyniak, Adam Węgrzynowicz, Jarosław Handzlik
    Academic press:
    ACS Catalysis (rok: 2019, tom: 9, strony: 11461-11467), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acscatal.9b03714 - link to the publication
  4. Tuning the metathesis performance of a molybdenum oxide-based catalyst by silica support acidity modulation and high temperature pretreatment
    Authors:
    Mariya Myradova, Adam Węgrzynowicz, Adam Węgrzyniak, Maciej Gierada, Przemysław Jodłowski, Joanna Łojewska, Jarosław Handzlik, Piotr Michorczyk
    Academic press:
    Catalysis Science & Technology (rok: 2022, tom: in press, strony: in press), Wydawca: The Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/d1cy02064a - link to the publication
  5. Characterization of amorphous silica based catalysts using DFT computational methods
    Authors:
    Frederik Tielens, Maciej Gierada, Jarosław Handzlik, Monica Calatayud
    Academic press:
    Catalysis Today (rok: 2020, tom: 354, strony: 45369), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.cattod.2019.03.062 - link to the publication
  6. Isolated Molybdenum(VI) and Tungsten(VI) Oxide Species on Partly Dehydroxylated Silica: A Computational Perspective
    Authors:
    Kamil Kurleto, Frederik Tielens, Jarosław Handzlik
    Academic press:
    The Journal of Physical Chemistry C (rok: 2020, tom: 124, strony: 3002-3013), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jpcc.9b09586 - link to the publication

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