Butler, K.T., Vollum, P.E., Muggerud, A.M. et al. (2 more authors) (2011) Structural and electronic properties of silver/silicon interfaces and implications for solar cell performance. Physical Review B (PRB), 83 (23). Article number: 235307. ISSN 1098-0121
Abstract
We present the results of an experimental and atomistic modelling investigation of the Sili- con/Silver (Si/Ag) interfaces found in industrial solar cells. We use small ab initio calculations to parameterize a new interatomic potential for the Si/Ag interaction. This interatomic potential is then validated against larger ab initio calculations as well as the results of previous experimental and theoretical studies of Si/Ag systems. The interatomic potential allows us to perform a large- scale search of the conformational space of Si/Ag interfaces identified from transmission electron microscopy (TEM) studies. The most favourable geometries thus identified are then used as the input for more accurate ab initio calculations. We demonstrate that the two interfaces which we identify experimentally have significantly different geometric and electronic structures. We also demonstrate how these different structures result in significantly different Schottky barriers at the interfaces.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2011 American Physical Society. This is an author produced version of a paper subsequently published in Physical Review B. Uploaded in accordance with the publisher's self-archiving policy. |
Keywords: | Solar cell silicon silver interface simulation Schottky barrier |
Dates: |
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Institution: | The University of Sheffield |
Academic Units: | The University of Sheffield > Faculty of Engineering (Sheffield) > Department of Materials Science and Engineering (Sheffield) |
Funding Information: | Funder Grant number European Commission MMP3-SL-2009-228513 |
Depositing User: | Professor John Harding |
Date Deposited: | 11 Jan 2013 15:12 |
Last Modified: | 08 Feb 2013 17:41 |
Published Version: | http://dx.doi.org/10.1103/PhysRevB.83.235307 |
Status: | Published |
Publisher: | American Physical Society |
Refereed: | Yes |
Identification Number: | 10.1103/PhysRevB.83.235307 |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:74890 |