Metal–organic frameworks functionalized with photoresponsive molecules are of interest as materials with photoswitchable electronic properties, but designing such MOFs remains challenging. Here, the authors use in silico molecular design to explore photoswitchable MOF candidates that incorporate spiropyran photoswitches at controlled positions and with defined intermolecular distances and orientations.
- Mersad Mostaghimi
- Helmy Pacheco Hernandez
- Mariana Kozlowska
