Band alignment at the strontium germanate interface with silicon

Kód výsledku v 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>

Nalezeny alternativní kódy

RIV/46747885:24220/23:00010906

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

Band alignment at the strontium germanate interface with silicon

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

Band alignment at the strontium germanate interface with silicon

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

<a href="/cs/project/GF21-20110K" target="_blank" >GF21-20110K: Heterostruktury s přechodem polovodič - dielektrikum pro fotoelektrolýzu vody</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2023

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Physical Review B

ISSN

2469-9950

e-ISSN

2469-9969

Svazek periodika

107

Číslo periodika v rámci svazku

11

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

8

Strana od-do

115303

Kód UT WoS článku

000962452700005

EID výsledku v databázi Scopus

2-s2.0-85151279182