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cond-mat.mtrl-sci2026
Impact of dynamic electrostatic disorder on hole mobility in rubrene: a nonadiabatic molecular dynamics investigation
Jan Elsner, Samuele Giannini, Jochen Blumberger
High-mobility organic molecular crystals such as rubrene are important materials for organic electronics, yet a quantitatively predictive description of their charge transport prop…
cond-mat.mtrl-sci2026
Polaron Transport in TiO from Machine Learning Molecular Dynamics
Christian S. Ahart, Denan Li, Jochen Blumberger +1
Transition metal oxides have attracted much attention as photo(electrochemical)-catalysts but practical applications are typically hampered by their low and anisotropic charge mobi…