First-principles design of nanostructured hybrid photovoltaics based on layered transition metal phosphates.

ABSTRACT: The performance of bulk organic and hybrid organic-inorganic heterojunction photovoltaics is often limited by high carrier recombination arising from strongly bound excitons and low carrier mobility. Structuring materials to minimize the length scales required for exciton separation and carrier collection is therefore a promising approach for improving efficiency. In this work, first-principles computations are employed to design and characterize a new class of photovoltaic materials composed of layered transition metal phosphates (TMPs) covalently bound to organic absorber molecules to form nanostructured superlattices. Using a combination of transition metal substitution and organic functionalization, the electronic structure of these materials is systematically tuned to design a new hyb

SUBMITTER: Lentz LC 

PROVIDER: S-EPMC5430691 | biostudies-literature | 2017 Apr

REPOSITORIES: biostudies-literature