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cond-mat.mtrl-sci2023
Discovering Ferroelectric Plastic (Ionic) Crystals in the Cambridge Structural Database: Database Mining and Computational Assessment
Elin Dypvik Sødahl, Seyedmojtaba Seyedraoufi, Carl Henrik Görbitz +1
Hybrid or organic plastic crystals have the potential as lead-free alternatives to conventional inorganic ferroelectrics. These materials are gaining attention for their multiaxial…
cond-mat.mtrl-sci2023
Database mining and first-principles assessment of organic proton-transfer ferroelectrics
Seyedmojtaba Seyedraoufi, Elin Dypvik Sødahl, Carl Henrik Görbitz +1
In organic proton-transfer ferroelectrics (OPTFe), molecules are linked together in a hydrogen-bonded network and proton transfer (PT) between molecules is the dominant mechanism o…