Towards first-principles prediction of open-circuit voltage and short-circuit current density in small-molecule BHJ solar cells

Materials Chemistry Frontiers 2026 Open access

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Authors: Teodoro Pizza, Alessandro Landi, Andrea Peluso, Amedeo Capobianco
DOI: 10.1039/d6qm00090h
Cited by: 1
References: 156

Abstract

A first-principles based method is developed to accurately predict the open-circuit voltage and short-circuit current density of small-molecule bulk heterojunction solar cells starting from the properties of the pure components.

Fields of Study & Subjects

Organic Electronics and Photovoltaics Perovskite Materials and Applications Chemical and Physical Properties of Materials

Publication details

Journal / source
Materials Chemistry Frontiers
Publisher
Royal Society of Chemistry (RSC)
Volume
10
Issue
12
Pages
2023–2043
Publication date
1 January 2026
Language
EN