Projects funded by the NCN
J.BOND - Formation of new chemical bonds and superexchange pathways in fluorine rich-systems at high pressure
2019/34/E/ST4/00445
Keywords:
high pressure superexchange interaction density functional theory inorganic chemistry fluorides
Descriptors:
- ST4_020:
- ST4_004:
- ST5_002:
Panel:
ST4 - Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development
Host institution :
Uniwersytet Kardynała Stefana Wyszyńskiego w Warszawie, Wydział Matematyczno-Przyrodniczy. Szkoła Nauk Ścisłych
woj. mazowieckie
Principal investigator (from the host institution):
dr hab. Dominik Krzysztof Kurzydłowski
Number of co-investigators in the project: 4
Call: SONATA BIS 9 - announced on 2019-06-17
Amount awarded: 1 980 050 PLN
Project start date (Y-m-d): 2020-03-31
Project end date (Y-m-d): 2025-03-30
Project duration:: 60 months (the same as in the proposal)
Project status: Project completed
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.
Information in the final report
- Publication in academic press/journals (4)
- NaZnF3 as a low-pressure analogue of MgSiO3Authors:Dominik Kurzydłowski, Arkadiusz Gajek, Zoran MazejAcademic press:Physical Review Materials (rok: 2021, tom: 5, strony: 113602), Wydawca: American Physical SocietyStatus:PublishedDOI:10.1103/PhysRevMaterials.5.113602 - link to the publication
- A high-pressure phase of Na2CuF4 with eight-co-ordinated Cu2+ – a low-pressure analogue of Mg2SiO4Authors:Deepak Upadhyay, Sharad Babu Pillai, Jakub Drapała, Zoran Mazej, Dominik KurzydłowskiAcademic press:Inorganic Chemistry Frontiers (rok: 2024, tom: nie przyznany, strony: nie przyznane), Wydawca: Royal Society of ChemistryStatus:PublishedDOI:10.1039/D3QI02671J - link to the publication
- High-pressure stabilization of open–shell bromine fluoridesAuthors:Madhavi H. Dalsaniya, Deepak Upadhyay, Krzysztof Jan Kurzydłowski, Dominik KurzydłowskiAcademic press:Physical Chemistry Chemical Physics (rok: 2024, tom: 26, strony: 1762-1769), Wydawca: Royal Society of ChemistryStatus:PublishedDOI:10.1039/D3CP05020C - link to the publication
- Insights into the high-pressure behavior of solid bromine from hybrid density functional theory calculationsAuthors:Madhavi H. Dalsaniya, Krzysztof Jan Kurzydłowski, Dominik KurzydłowskiAcademic press:Physical Review B (rok: 2022, tom: 106, strony: 115128), Wydawca: American Physical SocietyStatus:PublishedDOI:10.1103/PhysRevB.106.115128 - link to the publication