First-principles electronic structure and relative stability of pyrite and marcasite: Implications for photovoltaic performance

Despite the many advantages (e.g., suitable band gap, exceptional optical absorptivity, earth abundance) of pyrite as a photovoltaic material, its low open-circuit voltage (OCV) has remained the biggest challenge preventing its use in practical devices. Two of the most widely accepted reasons for th...

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Bibliographic Details
Main Authors: Sun, Ruoshi, Chan, Maria K., Ceder, Gerbrand
Other Authors: Massachusetts Institute of Technology. Department of Materials Science and Engineering
Format: Article
Language:en_US
Published: American Physical Society 2011
Online Access:http://hdl.handle.net/1721.1/65869
https://orcid.org/0000-0002-6833-3480