Hydrogen Bonding: A Mechanism for Tuning Electronic and Optical Properties of Hybrid Organic-Inorganic Frameworks

TL;DR

This paper shows that hydrogen bonds in hybrid organic-inorganic frameworks can enhance stability and tune electronic properties, offering new avenues for optoelectronic and photovoltaic applications.

Contribution

It introduces hydrogen bonding as a universal mechanism to modify electronic and optical properties in hybrid frameworks with protonated cations.

Findings

Hydrogen bonds increase structural stability.

Hydrogen bonds can tune electronic states near the bandgap.

Universal behavior in hybrid inorganic-organic frameworks.

Abstract

Here we demonstrate that significant progress in this area may be achieved by introducing structural elements that form hydrogen bonds with environment. Considering several examples of hybrid framework materials with different structural ordering containing protonated sulfonium cation H3S+ that forms strong hydrogen bonds with electronegative halogen anions (Cl-, F-), we found that hydrogen bonding increases the structural stability of the material and may be used for tuning electronic states near the bandgap. We suggest that such a behavior has a universal character and should be observed in hybrid inorganic-organic framework materials containing protonated cations. This effect may serve as a viable route for optoelectronic and photovoltaic applications.