Wioletta Kopeć - Publications - Bridge of Knowledge

Wioletta Kopeć

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Junior specialist at Instytut Maszyn Przepływowych PAN, Gdańsk

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Year 2023

Spin-Resolved Band Structure of Hoffman Clathrate [Fe(pz)2Pt(CN)4] as an Essential Tool to Predict Optical Spectra of Metal–Organic Frameworks
Publication
- A. Olejnik
- W. Kopeć
- D. Maskowicz
- M. Sawczak
- ACS Applied Materials & Interfaces - Year 2023
Paramount spin-crossover properties of the 3D-Hoffman metalorganic framework (MOF) [Fe(pz)2Pt(CN)4] are generally described on the basis of the ligand field theory, which provides adequate insight into theoretical and simulation analysis of spintronic complexes. However, the ligand field approximation does not take into account the 3D periodicity of the actual complex lattice and surface effects and therefore cannot predict a full-scale...

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