FAQ on organic semiconductors

This page is under development, collaborators are welcomed

Notations and abbreviations

Scientific articles and webpages

See Library (including wiki link at the top)

Published Q&A

• Wei Fan, Derya Baran, Lab-to-fab progress for organic photovoltaics (2025)
• Wei Fan, Jenny Nelson, Reflections on progress in organic photovoltaics (2025)

Addressed questions

• What density functional to use
• What basis set to use
• How accurately geometry can be predicted
• Can electronic structure of molecular solids be considered as a superposition of HOMO/LUMO of individual molecules

Open questions

• How to calculate IE/EA of a molecular solid

© 2025 Andriy Zhugayevych