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DOI: 10.1002/solr.202300639

Hydrogen reactions with dopants and impurities in solar silicon from first principles

Jos\'e CoutinhoDiana GomesVitor J. B. TorresTarek O. Abdul FattahVladimir P. MarkevichAnthony R. Peaker
Feb 2024
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摘要原文
We present a theoretical account of some of the most likely hydrogen-related reactions with impurities in n-type and p-type solar-grade silicon. These include reactions with dopants and carbon, which are relevant in the context of life-time degradation of silicon solar cells, most notably of light and elevated temperature degradation (LeTID) of the cells. Among the problems addressed, we highlight a comparative study of acceptor-enhanced dissociation of hydrogen molecules in B- and Ga-doped material, their subsequent reaction steps toward formation of acceptor-hydrogen pairs, the proposal of mechanisms which explain the observed kinetics of photo-/carrier-induced dissociation of PH and CH pairs in n-type Si, analysis of reactions involving direct interactions between molecules with P and C, and the assignment of several electron and hole traps with detailed atomistic- and wavefunction-resolved models.
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