Abstract
We analyse the formation energy of interstitial boron (B i) and the properties of the defect resulting from its association with an oxygen dimer (B iO 2i) to evaluate the possibility that it may be the slow-forming centre responsible for the light-induced degradation of B-doped Si solar cells. However, we find that the formation energy of B i is too high, and therefore its concentration is negligible. Moreover, we find that the lowest energy form of B iO 2i is a shallow donor, and the deep donor form is high in energy. Lowest energy structure of the B iO 2i defect. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.