Physics of grain boundaries in polycrystalline photovoltaic semiconductors

Yan, Yanfa; Yin, Wan-Jian; Wu, Yelong; Shi, Tingting; Paudel, Naba R.; Li, Chen; Poplawsky, Jonathan D.; Wang, Zhiwei; Moseley, John; Guthrey, Harvey; Moutinho, Helio; Pennycook, Stephen J.; Al-jassim, Mowafak

doi:10.1063/1.4913833

Title: Physics of grain boundaries in polycrystalline photovoltaic semiconductors

Journal Article · Mon Mar 16 00:00:00 EDT 2015 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4913833· OSTI ID:1265414

Yan, Yanfa ^[1]; Yin, Wan-Jian ^[1]; Wu, Yelong ^[1]; Shi, Tingting ^[1]; Paudel, Naba R. ^[1]; Li, Chen ^[2]; Poplawsky, Jonathan D. ^[3]; Wang, Zhiwei ^[4]; Moseley, John ^[5]; Guthrey, Harvey ^[5]; Moutinho, Helio ^[5]; Pennycook, Stephen J. ^[6]; Al-jassim, Mowafak ^[5]

Univ. of Toledo, OH (United States). Wright Center for Photovoltaics Innovation and Commercialization (PVIC)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science (CNMS)
Univ. of Toledo, OH (United States). Wright Center for Photovoltaics Innovation and Commercialization (PVIC) ; National Renewable Energy Lab. (NREL), Golden, CO (United States)
National Renewable Energy Lab. (NREL), Golden, CO (United States)
Univ. of Tennessee, Knoxville, TN (United States)

Thin-film solar cells based on polycrystalline Cu(In,Ga)Se₂ (CIGS) and CdTe photovoltaic semiconductors have reached remarkable laboratory efficiencies. It is surprising that these thin-film polycrystalline solar cells can reach such high efficiencies despite containing a high density of grain boundaries (GBs), which would seem likely to be nonradiative recombination centers for photo-generated carriers. In this study, we review our atomistic theoretical understanding of the physics of grain boundaries in CIGS and CdTe absorbers. We show that intrinsic GBs with dislocation cores exhibit deep gap states in both CIGS and CdTe. Although, in each solar cell device, the GBs can be chemically modified to improve their photovoltaic properties. In CIGS cells, GBs are found to be Cu-rich and contain O impurities. Density-functional theory calculations reveal that such chemical changes within GBs can remove most of the unwanted gap states. In CdTe cells, GBs are found to contain a high concentration of Cl atoms. Cl atoms donate electrons, creating n-type GBs between p-type CdTe grains, forming local p-n-p junctions along GBs. This leads to enhanced current collections. In conclusion, chemical modification of GBs allows for high efficiency polycrystalline CIGS and CdTe thin-film solar cells.

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Research Organization:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1265414

Journal Information:: Journal of Applied Physics, Vol. 117, Issue 11; ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 45 works

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