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

Fuente: arXiv
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Autori principali: Coutinho, José, Gomes, Diana, Torres, Vitor J. B., Fattah, Tarek O. Abdul, Markevich, Vladimir P., Peaker, Anthony R.
Natura: Preprint
Pubblicazione: 2024
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author Coutinho, José
Gomes, Diana
Torres, Vitor J. B.
Fattah, Tarek O. Abdul
Markevich, Vladimir P.
Peaker, Anthony R.
author_facet Coutinho, José
Gomes, Diana
Torres, Vitor J. B.
Fattah, Tarek O. Abdul
Markevich, Vladimir P.
Peaker, Anthony R.
contents 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.
format Preprint
id arxiv_https___arxiv_org_abs_2402_00434
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Hydrogen reactions with dopants and impurities in solar silicon from first principles
Coutinho, José
Gomes, Diana
Torres, Vitor J. B.
Fattah, Tarek O. Abdul
Markevich, Vladimir P.
Peaker, Anthony R.
Materials Science
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.
title Hydrogen reactions with dopants and impurities in solar silicon from first principles
topic Materials Science
url https://arxiv.org/abs/2402.00434