On-off conduction photoswitching in modelled spiropyran-based metal-organic frameworks.

ABSTRACT: Materials with photoswitchable electronic properties and conductance values that can be reversibly changed over many orders of magnitude are highly desirable. Metal-organic framework (MOF) films functionalized with photoresponsive spiropyran molecules demonstrated the general possibility to switch the conduction by light with potentially large on-off-ratios. However, the fabrication of MOF materials in a trial-and-error approach is cumbersome and would benefit significantly from in silico molecular design. Based on the previous proof-of-principle investigation, here, we design photoswitchable MOFs which incorporate spiropyran photoswitches at controlled positions with defined intermolecular distances and orientations. Using multiscale modelling and automated workflow protocols, four MOF ca

SUBMITTER: Mostaghimi M 

PROVIDER: S-EPMC10728195 | biostudies-literature | 2023 Dec

REPOSITORIES: biostudies-literature