Nanostructured Bulk-Heterojunction Solar Cells Based on Amorphous Carbon

TitleNanostructured Bulk-Heterojunction Solar Cells Based on Amorphous Carbon
Publication TypeJournal Article
Year of Publication2017
AuthorsRisplendi, F, Cicero, G, Grossman, JC
JournalAcs Energy Letters
Pagination882 - 888
Date Published2017/04//
ISBN Number2380-8195
Keywordsab-initio, augmented-wave method, density, diamond, electron, energy, films, Nanotubes, nitrogen incorporation, Photovoltaics

Amorphous carbon (a-C) has the potential to provide properties important to solar photovoltaics that are comparable to those of silicon-based materials with further advantages such as low cost, solution processing, air stability, and higher thermal resistance. We employ accurate computational approaches to explore and understand active layers based on bulk heterojunctions containing a-C. Our results show that interfaces with a-C and other carbon nanostructures could enable successful electron and hole extraction as well as reduced sources for carrier recombination. Ab initio molecular dynamics and density functional theory calculations are carried out for a large statistical set of interfaces between a-C structures of different densities and either carbon nanotubes or fullerenes. We show that the energy alignment at such interfaces can be widely tuned as a function of a-C density, doping chemistry, or nanostructure size to obtain type-II heterostructures and that the optical properties of such interfaces would be highly favorable for sunlight harvesting.

Short TitleACS Energy Lett.