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Modeling of surface gap state passivation and Fermi level de-pinning in solar cells

Haichang Lu, Yuzheng Guo Orcid Logo, Hongfei Li, John Robertson

Applied Physics Letters, Volume: 114, Issue: 22, Start page: 222106

Swansea University Author: Yuzheng Guo Orcid Logo

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DOI (Published version): 10.1063/1.5100599

Abstract

The behavior of gap states due to coordination defects (e.g., dangling bonds) and metal induced gap states (MIGS) is compared using density functional supercell calculations. While both types of gap states cause carrier recombination, they are passivated in different ways. Defects can be passivated...

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Published in: Applied Physics Letters
ISSN: 0003-6951 1077-3118
Published: 2019
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URI: https://cronfa.swan.ac.uk/Record/cronfa50748
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first_indexed 2019-06-07T14:58:25Z
last_indexed 2019-06-07T14:58:25Z
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spelling 2019-06-07T09:42:10.8899422 v2 50748 2019-06-07 Modeling of surface gap state passivation and Fermi level de-pinning in solar cells 2c285ab01f88f7ecb25a3aacabee52ea 0000-0003-2656-0340 Yuzheng Guo Yuzheng Guo true false 2019-06-07 GENG The behavior of gap states due to coordination defects (e.g., dangling bonds) and metal induced gap states (MIGS) is compared using density functional supercell calculations. While both types of gap states cause carrier recombination, they are passivated in different ways. Defects can be passivated by shifting their states out of the gap, whereas MIGS lie on normally coordinated atoms and their states cannot be shifted. Their “passivation” requires the insertion of an insulating layer to attenuate them sufficiently before they enter the semiconductor. We show that MIGS also cause Fermi level pinning, inhibiting the control of the work function by the contacts, and so they must also be attenuated to enable certain solar cell designs. Journal Article Applied Physics Letters 114 22 222106 0003-6951 1077-3118 31 12 2019 2019-12-31 10.1063/1.5100599 COLLEGE NANME General Engineering COLLEGE CODE GENG Swansea University 2019-06-07T09:42:10.8899422 2019-06-07T09:38:01.3674740 Faculty of Science and Engineering School of Aerospace, Civil, Electrical, General and Mechanical Engineering - General Engineering Haichang Lu 1 Yuzheng Guo 0000-0003-2656-0340 2 Hongfei Li 3 John Robertson 4
title Modeling of surface gap state passivation and Fermi level de-pinning in solar cells
spellingShingle Modeling of surface gap state passivation and Fermi level de-pinning in solar cells
Yuzheng Guo
title_short Modeling of surface gap state passivation and Fermi level de-pinning in solar cells
title_full Modeling of surface gap state passivation and Fermi level de-pinning in solar cells
title_fullStr Modeling of surface gap state passivation and Fermi level de-pinning in solar cells
title_full_unstemmed Modeling of surface gap state passivation and Fermi level de-pinning in solar cells
title_sort Modeling of surface gap state passivation and Fermi level de-pinning in solar cells
author_id_str_mv 2c285ab01f88f7ecb25a3aacabee52ea
author_id_fullname_str_mv 2c285ab01f88f7ecb25a3aacabee52ea_***_Yuzheng Guo
author Yuzheng Guo
author2 Haichang Lu
Yuzheng Guo
Hongfei Li
John Robertson
format Journal article
container_title Applied Physics Letters
container_volume 114
container_issue 22
container_start_page 222106
publishDate 2019
institution Swansea University
issn 0003-6951
1077-3118
doi_str_mv 10.1063/1.5100599
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Aerospace, Civil, Electrical, General and Mechanical Engineering - General Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Aerospace, Civil, Electrical, General and Mechanical Engineering - General Engineering
document_store_str 0
active_str 0
description The behavior of gap states due to coordination defects (e.g., dangling bonds) and metal induced gap states (MIGS) is compared using density functional supercell calculations. While both types of gap states cause carrier recombination, they are passivated in different ways. Defects can be passivated by shifting their states out of the gap, whereas MIGS lie on normally coordinated atoms and their states cannot be shifted. Their “passivation” requires the insertion of an insulating layer to attenuate them sufficiently before they enter the semiconductor. We show that MIGS also cause Fermi level pinning, inhibiting the control of the work function by the contacts, and so they must also be attenuated to enable certain solar cell designs.
published_date 2019-12-31T04:02:21Z
_version_ 1763753214702780416
score 11.036706

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