Band alignment at the strontium germanate interface with silicon
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F23%3A00570898" target="_blank" >RIV/68378271:_____/23:00570898 - isvavai.cz</a>
Alternative codes found
RIV/46747885:24220/23:00010906
Result on the web
<a href="https://doi.org/10.1103/PhysRevB.107.115303" target="_blank" >https://doi.org/10.1103/PhysRevB.107.115303</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1103/PhysRevB.107.115303" target="_blank" >10.1103/PhysRevB.107.115303</a>
Alternative languages
Result language
angličtina
Original language name
Band alignment at the strontium germanate interface with silicon
Original language description
Photocatalytic water splitting is a promising strategy for large-scale clean energy production. However, efficient and low-cost solid-state photocatalysts are still lacking. We present here first-principles calculations for investigating the suitability of an epitaxial layer of strontium germanate on a Si(100) single crystal as a photocathode. Conduction and valence band offsets at the interface between these two semiconductors were determined using state-of-the-art approximations of density functional theory for the accurate prediction of band alignments. The resulting band lineup is also confirmed by inspection of the spatially resolved density of states. It is concluded that the conduction band offset of the investigated heterostructure is favorable for photocathodic functionality.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
<a href="/en/project/GF21-20110K" target="_blank" >GF21-20110K: Semiconductor - dielectric heterostructures for photoelectrochemical hydrogen evolution</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Review B
ISSN
2469-9950
e-ISSN
2469-9969
Volume of the periodical
107
Issue of the periodical within the volume
11
Country of publishing house
US - UNITED STATES
Number of pages
8
Pages from-to
115303
UT code for WoS article
000962452700005
EID of the result in the Scopus database
2-s2.0-85151279182