Grain-Boundary Physics in Polycrystalline CuInSe2 Revisited: Experiment and Theory

Yanfa Yan, R. Noufi, M. M. Al-Jassim

Research output: Contribution to journalArticlepeer-review

109 Scopus Citations


Current studies have attributed the remarkable performance of polycrystalline CuInSe2 (CIS) to anomalous grain-boundary (GB) physics in CIS. The recent theory predicts that GBs in CIS are hole barriers, which prevent GB electrons from recombining. We examine the atomic structure and chemical composition of (112) GBs in Cu(In,Ga)Se2 (CIGS) using high-resolution Z-contrast imaging and nanoprobe x-ray energy-dispersive spectroscopy. We show that the theoretically predicted Cu-vacancy rows are not observed in (112) GBs in CIGS. Our first-principles modeling further reveals that the (112) GBs in CIS do not act as hole barriers. Our results suggest that the superior performance of polycrystalline CIS should not be explained solely by the GB behaviors.

Original languageAmerican English
Article number205501
Number of pages4
JournalPhysical Review Letters
Issue number20
StatePublished - 2006

NREL Publication Number

  • NREL/JA-520-39431


Dive into the research topics of 'Grain-Boundary Physics in Polycrystalline CuInSe2 Revisited: Experiment and Theory'. Together they form a unique fingerprint.

Cite this