Novel Solar Cell Materials: Insights from First-Principles

Gautam, Gopalakrishnan Sai; Senftle, Thomas P.; Alidoust, Nima; Carter, Emily A.

doi:10.1021/acs.jpcc.8b08185

Title: Novel Solar Cell Materials: Insights from First-Principles

Journal Article · 16 October 2018 · Journal of Physical Chemistry. C

DOI: https://doi.org/10.1021/acs.jpcc.8b08185 · OSTI ID:1813039

^[1];

^[2]; Alidoust, Nima ^[3];

^[4]

Princeton Univ., NJ (United States); Princeton University
Princeton Univ., NJ (United States); Rice Univ., Houston, TX (United States)
Princeton Univ., NJ (United States); Rigetti Computing, Berkeley, CA (United States)
Princeton Univ., NJ (United States)

Although silicon solar cells currently dominate the market share for photovoltaic (PV) devices, it is important to explore other materials and device configurations that could be cheaper and more environmentally friendly to produce, as well as potentially more efficient at energy conversion. Here, we review some of our recent theoretical work aimed at accurate evaluation of key materials properties associated with optimizing alternative PV materials. These include potential new light absorbers and transparent conductors in devices ranging from traditional PVs to tandem dye-sensitized solar cells and thin-film PVs to intermediate band gap PVs. We specifically focus on two materials families: transition-metal oxides (TMOs), such as NiO, CoO, FeO, and Cu₂O, and mixed metal sulfides, such as Cu₂ZnSnS₄. Furthermore, both families are p-type semiconductors being explored as less expensive solar cell components.

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Research Organization:: Princeton Univ., NJ (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0002120

OSTI ID:: 1813039

Journal Information:: Journal of Physical Chemistry. C, Journal Name: Journal of Physical Chemistry. C Journal Issue: 48 Vol. 122; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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