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cond-mat.mtrl-sci2026
Charge Transport Framework for Crystalline pi-Conjugated Materials
Nisarg Trivedi, Maximilian F. X. Dorfner, Michel Panhans +1
Quantitative charge-transport modelling in crystalline pi-conjugated polymers requires an electronic representation that captures extended conjugation and material-specific electro…
cond-mat.mtrl-sci2026
Interplay between Electronic Structure, Chemical Bonding, and Lattice Symmetry in Bismuth Vanadate
Philip Schwinghammer, Franziska S. Hegner, Frederico P. Delgado +5
Bismuth vanadate (BiVO) is a prototypical oxide photocatalyst that occurs in both tetragonal and monoclinic scheelite phases with markedly different photocatalytic and photoele…