Hydrogen reactions with dopants and impurities in solar silicon from first principles
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.
Keywords
Cite
@article{arxiv.2402.00434,
title = {Hydrogen reactions with dopants and impurities in solar silicon from first principles},
author = {José Coutinho and Diana Gomes and Vitor J. B. Torres and Tarek O. Abdul Fattah and Vladimir P. Markevich and Anthony R. Peaker},
journal= {arXiv preprint arXiv:2402.00434},
year = {2024}
}