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arXiv · 2402.00434

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

José Coutinho·Diana Gomes·Vitor J. B. Torres·Tarek O. Abdul Fattah·Vladimir P. Markevich·Anthony R. Peaker
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Abstract

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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José Coutinho, Diana Gomes, Vitor J. B. Torres, Tarek O. Abdul Fattah, Vladimir P. Markevich, Anthony R. Peaker. 2024-02-01. Hydrogen reactions with dopants and impurities in solar silicon from first principles. https://doi.org/10.1002/solr.202300639

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