Compositionally induced valence-band offset at the grain boundary of polycrystalline chalcopyrites creates a hole barrier
2005 (English)In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 87, no 21Article in journal (Refereed) Published
First-principles calculations of model grain boundaries (GBs) in CuInSe2 and CaGaSe2 show that cation-terminated GBs have a valence-band offset with respect to the grain interior (GI). This offset repels holes from the GBs, thus depriving electrons there from recombination at the GB defects. Anion-terminated GBs have no such valence offset. CuGaSe2 has, in addition, a conduction-band offset at the GB/GI interface, attracting electrons to the GBs. These features explain how polycrystalline chalcopyrite solar cells could outperform their crystalline counterparts.
Place, publisher, year, edition, pages
2005. Vol. 87, no 21
cu(in,ga)se-2 thin-films, solar-cells, gap, depletion, cuinse2
IdentifiersURN: urn:nbn:se:kth:diva-15183DOI: 10.1063/1.2132537ISI: 000233362300023ScopusID: 2-s2.0-27844475333OAI: oai:DiVA.org:kth-15183DiVA: diva2:333224
QC 201005252010-08-052010-08-05Bibliographically approved