Ab-initio calculation study on the formation mechanism of boron-oxygen complexes in c-Si | Zendy

Xuegong Yu | Zendy; Peng Chen | Zendy; Xianzi Chen | Zendy; Yong Liu | Zendy; Deren Yang | Zendy

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Ab-initio calculation study on the formation mechanism of boron-oxygen complexes in c-Si

Author(s) -

Xuegong Yu,

Peng Chen,

Xianzi Chen,

Yong Liu,

Deren Yang

Publication year - 2015

Publication title -

aip advances

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.421

H-Index - 58

ISSN - 2158-3226

DOI - 10.1063/1.4927498

Subject(s) - metastability , boron , ab initio , oxygen , dimer , silicon , ab initio quantum chemistry methods , chemistry , crystallography , recombination , chemical physics , solar cell , diffusion , materials science , computational chemistry , thermodynamics , molecule , physics , biochemistry , optoelectronics , organic chemistry , gene

Boron-oxygen (B-O) complex in crystalline silicon (c-Si) solar cells is responsible for the light-induced efficiency degradation of solar cell. However, the formation mechanism of B-O complex is not clear yet. By Ab-initio calculation, it is found that the stagger-type oxygen dimer (O2ist) should be the component of B-O complex, whose movement occurs through its structure reconfiguration at low temperature, instead of its long-distance diffusion. The O2ist can form two stable “latent centers” with the Bs, which are recombination-inactive. The latent centers can be evolved into the metastable recombination centers via their structure transformation in the presence of excess carriers. These results can well explain the formation behaviors of B-O complexes in c-Si

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