How organic switches grafting on TiO₂ modifies the surface potentials: theoretical insights.

ABSTRACT: Hybrid organic switch-inorganic semiconductor systems have important applications in both photo-responsive intelligent surfaces and microfluidic devices. In this context, herein, we performed first-principles calculations to investigate a series of organic switches of trans/cis-azobenzene fluoride and pristine/oxidized trimethoxysilane adsorbed on low-index anatase slabs. The trends in the surface-adsorbate interplay were examined in terms of the electronic structures and potential distributions. Consequently, it was found that the cis-azobenzene fluoride (oxidized trimethoxysilane)-terminated anatase surface attains a lower ionization potential than the trans-azobenzene fluoride (pristine trimethoxysilane)-terminated anatase surface due to its smaller induced (

SUBMITTER: Huang H 

PROVIDER: S-EPMC10193125 | biostudies-literature | 2023 May

REPOSITORIES: biostudies-literature