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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Defects an charge carriers trapping in Lu2O3:Ln,M energy storage and persistent luminescence phosphors - an ab initio perspective

2017/26/D/ST3/00599

Keywords:

thermoluminescence DFT defects ab initio lutetium oxide persistent luminescence energy storage

Descriptors:

  • ST3_5: Physical properties of semiconductors and insulators
  • ST4_15: Colloid chemistry
  • ST5_2: Solid-state materials

Panel:

ST3 - Condensed matter physics: structure, electronic properties, fluids, nanosciences, biological physics

Host institution :

Uniwersytet Wrocławski, Wydział Chemii

woj. dolnośląskie

Other projects carried out by the institution 

Principal investigator (from the host institution):

dr Andrii Shyichuk 

Number of co-investigators in the project: 2

Call: SONATA 13 - announced on 2017-06-14

Amount awarded: 249 200 PLN

Project start date (Y-m-d): 2018-04-20

Project end date (Y-m-d): 2021-12-19

Project duration:: 44 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. Komputer.
  2. Komputer (7 000 PLN)

Information in the final report

  • Publication in academic press/journals (5)
  1. Oxygen Vacancy, Oxygen Vacancy-Vacancy Pairs and Frenkel Defects in Cubic Lutetium Oxide
    Authors:
    Andrii Shyichuk, Eugeniusz Zych
    Academic press:
    Journal of Physical Chemistry C (rok: 2020, tom: 124 (28), strony: 14945-14962), Wydawca: ACS Publications
    Status:
    Published
    DOI:
    10.1021/acs.jpcc.0c00974 - link to the publication
  2. Meta-GGA TD-DFT study on electron trapping in Hf and Zr doped lutetium oxide: influencing the oxygen vacancy
    Authors:
    Andrii Shyichuk
    Academic press:
    Acta Crystallographica Section B (rok: 2023, tom: --, strony: --), Wydawca: International Union of Crystallography
    Status:
    Submitted
    DOI:
    brak - link to the publication
  3. Dopant-related electron trap states in Lu2O3:Ta
    Authors:
    A. Shyichuk, E. Zych
    Academic press:
    Journal of Luminescence (rok: 2019, tom: 214, strony: 116538), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.jlumin.2019.116583 - link to the publication
  4. Defects in hafnium-doped lutetium oxide and the corresponding electron traps: a meta-generalized gradient approximation study
    Authors:
    Andrii Shyichuk, Dagmara Kulesza, Eugeniusz Zych
    Academic press:
    Acta Crystallographica Section B (rok: 2022, tom: B78, strony: 564-575), Wydawca: International Union of Crystallography
    Status:
    Published
    DOI:
    10.1107/S205252062200436X - link to the publication
  5. Electron Trap Depths in Cubic Lutetium Oxide Doped with Pr and Ti, Zr or Hf - From Ab Initio Multiconfigurational Calculations
    Authors:
    Andrii Shyichuk, Marek Kroś nicki
    Academic press:
    Journal of Physical Chemistry A (rok: 2023, tom: --, strony: --), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jpca.2c07979 - link to the publication

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