Novel electronic, excitonic, and optical features in 2D lead-halide hybrid perovskites via tuning of
Abstract
Approved for Public ReleaseThe University of Arizona proposes a one-year computation-based research program complemented by experime,ntal efforts at the University of Colorado Boulder. The objective is to investigate novel electronic, excitonic, and optical feature,s in two-dimensional (2D) organic-inorganic lead-halide hybrid perovskites that result from wavefunction hybridization and electroni,c couplings between the frontier molecular orbitals of -conjugated organic spacer molecules and the band edge states of the inorgan,ic framework. We will design synthetically relevant organic spacer molecules with varying degrees of -conjugation and determine the, nature of the electronic interactions and resulting excitonic behaviors that are induced by tuning: (i) the conjugated backbones of, the organic spacers; (ii) the chemistry of their binding groups; and (iii) the structural proximity between the organic and inorgan,ic components. We expect that the understanding gained from this work: (i) will allow us to propose strategies to rationally develop, not only 2D but also 1D lead-halide hybrid perovskites and related materials with unprecedented properties; and (ii) will be the sp,ringboard for more extensive investigations. In addition, the more comprehensive relationships we will obtain between chemical and g,eometrical structures and charge-separation and charge-transport properties in 2D and 1D hybrid lead-halide materials could be explo,ited to increase the performance of perovskite-based solar-cell devices with potential for portable power generation in Navy and Mar,ine Corps operations.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- May 16, 2022
- Source ID
- N000142212379
Entities
People
- Jean-Luc Brédas
Organizations
- Office of Naval Research
- United States Navy
- University of Arizona