Search Results - "Cavalcante, Lucas S. R."

Comparing the Expense and Accuracy of Methods to Simulate Atomic Vibrations in Rubrene by Dettmann, Makena A, Cavalcante, Lucas S. R, Magdaleno, Corina, Masalkovaitė, Karina, Vong, Daniel, Dull, Jordan T, Rand, Barry P, Daemen, Luke L, Goldman, Nir, Faller, Roland, Moulé, Adam J

“…Atomic vibrations can inform about materials properties from hole transport in organic semiconductors to correlated disorder in metal–organic frameworks…”
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Catching the Killer: Dynamic Disorder Design Rules for Small‐Molecule Organic Semiconductors by Dettmann, Makena A., Cavalcante, Lucas S. R., Magdaleno, Corina A., Moulé, Adam J.

“…Small‐molecule organic semiconductors are promising materials for applications ranging from solar cells to medical sensors. Their nearly infinite design space…”
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Quantitative Hole Mobility Simulation and Validation in Substituted Acenes by Vong, Daniel, Nematiaram, Tahereh, Dettmann, Makena A., Murrey, Tucker L., Cavalcante, Lucas S. R., Gurses, Sadi M., Radhakrishnan, Dhanya, Daemen, Luke L., Anthony, John E., Koski, Kristie J., Kronawitter, Coleman X., Troisi, Alessandro, Moulé, Adam J.

“…Knowledge of the full phonon spectrum is essential to accurately calculate the dynamic disorder (σ) and hole mobility (μ h ) in organic semiconductors (OSCs)…”
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