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First--principles band alignments at the Si:anatase TiO2 interface

Abstract:

TiO2 has been identified as a promising electron transport layer in Si solar cells. Experiments have revealed that the Si:TiO2 interface undergoes structural changes depending on how it was fabricated. However, less is understood about the sensitivity of electronic properties, such as band alignments, to these changes. Here, we present first-principles calculations of band alignments between Si and anatase TiO2, investigating different surface orientations ...

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Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1021/acsomega.3c02865

Authors


More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Materials
Role:
Author
More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Materials
Role:
Author
More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Materials
Role:
Author
ORCID:
0000-0002-1843-1269
Publisher:
American Chemical Society
Journal:
ACS Omega More from this journal
Volume:
8
Issue:
22
Pages:
20138–20147
Publication date:
2023-05-22
Acceptance date:
2023-05-08
DOI:
EISSN:
2470-1343
Language:
English
Keywords:
Pubs id:
1340221
Local pid:
pubs:1340221
Deposit date:
2023-05-08

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