11 citations · 12 across the 4 of their papers we have counts for
4 papers
Design of novel organic proton-transfer acid-base (anti-)ferroelectric salts with crystal structure prediction
Seyedmojtaba Seyedraoufi, Graeme M. Day, Kristian Berland
Organic molecular ferroelectrics, including organic proton-transfer ferroelectrics and antiferroelectrics, are potentially attractive in organic electronics and have significant ch…
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…
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…
Improved proton-transfer barriers with van der Waals density functionals: Role of repulsive non-local correlation
S. Seyedraoufi, Kristian Berland
Proton-transfer (PT) between organic complexes is a common and important biochemical process. Unfortunately, PT energy barriers are difficult to accurately predict using density fu…