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Information on the principal investigator and host institution

Information of the project and the call

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Multiscale Modelind and Design of Photo-Electrochemical Interfaces

2016/23/Z/ST4/04376

Keywords:

multiscale modeling photocatalysis electrocatalysis water splitting

Descriptors:

  • ST4_14: Catalysis
  • ST4_15: Colloid chemistry
  • ST4_17: Chemical reactions: mechanisms, thermodynamics, kinetics

Panel:

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

Host institution :

Politechnika Wrocławska

woj. dolnośląskie

Other projects carried out by the institution 

Principal investigator (from the host institution):

dr hab. Bartłomiej Szyja 

Number of co-investigators in the project: 2

Call: UNISONO

Amount awarded: 577 513 PLN

Project start date (Y-m-d): 2017-09-01

Project end date (Y-m-d): 2021-07-31

Project duration:: 47 months (the same as in the proposal)

Project status: Project settled

Information in the final report

  • Publication in academic press/journals (4)
  1. On the design of models for an accurate description of the water - hematite interface
    Authors:
    Juan Jose Gutierrez-Sevillano, Agata Podsiadły-Paszkowska, Bartłomiej M.Szyja, SofiaCalero
    Academic press:
    Applied Surface Science (rok: 2021, tom: 560, strony: 149884), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.apsusc.2021.149884 - link to the publication
  2. Tuning the Hematite (110) Surface Properties To Enhance Its Efficiency in Photoelectrochemistry
    Authors:
    A. Podsiadły-Paszkowska, I. Tranca, B.M. Szyja
    Academic press:
    J. Phys. Chem. C (rok: 2019, tom: 123, strony: 5401-5410), Wydawca: ACS Publications
    Status:
    Published
    DOI:
    10.1021/acs.jpcc.8b10872 - link to the publication
  3. Mixing ReaxFF parameters for transition metal oxides using force-matching method.
    Authors:
    Adam Włodarczyk, Mariusz Uchroński , Agata Podsiadły-Paszkowska, Joanna Irek, Bartłomiej M. Szyja
    Academic press:
    Journal of Molecular Modeling (rok: 2021, tom: -, strony: -), Wydawca: Elsevier
    Status:
    Submitted
    DOI:
    brak - link to the publication
  4. Helping Thy Neighbor: How Cobalt Doping Alters the Electrocatalytic Properties of Hematite
    Authors:
    Bartłomiej M. Szyja, Agata Podsiadły-Paszkowska
    Academic press:
    The Journal of Physical Chemistry Letters (rok: 2020, tom: 11, strony: 4402-4407), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jpclett.0c00900 - link to the publication

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