Pregled bibliografske jedinice broj: 1277899
Charge carrier dynamics across the metal oxide/BaTiO3 interfaces toward photovoltaic applications from the theoretical perspective
Charge carrier dynamics across the metal oxide/BaTiO3 interfaces toward photovoltaic applications from the theoretical perspective // Surfaces and interfaces, 39 (2023), 102974-102981 doi:10.1016/j.surfin.2023.102974 (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 1277899 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Charge carrier dynamics across the metal
oxide/BaTiO3 interfaces toward photovoltaic
applications from the theoretical perspective
Autori
Kovač, Ivan ; Mužević, Matko ; Varga Pajtler, Maja ; Lukačević, Igor
Izvornik
Surfaces and interfaces (2468-0230) 39
(2023);
102974-102981
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
Perovskite solar cells ; Interfaces ; Heterostructures ; Barium titanate ; Metal oxides ; Density functional theory
Sažetak
Transport layers in perovskite solar cells are the crucial parts in charge carrier extraction and transfer in the solar cell circuit. The physical and chemical properties of their interfaces with neighbouring layers, such as buffer layers, govern the dynamics of electrons across the interface boundaries. Using ab initio calculations, we study in detail the interface properties of metal oxide/BaTiO3 heterostructures. The structural changes near the metal oxide/BaTiO3 interfaces are detailed for the first time. The electronic properties are used to assess the quantities of interest for use in perovskite solar cells (band gap, effective mass, carrier mobility, plane averaged electrostatic potential, band offsets). The analysed results introduce several competing quantities which influence the charge dynamics: the band gap character versus the charge carrier effective mass and the averaged electrostatic potential difference versus the unfavourable conduction band offset. While experimental studies are unable to distinguish the relevance of the competing factors, our results point to the fact that BaTiO3 interlayer morphology plays a more important factor in the cell's performance than its intrinsic properties. Based on the results, general insights are given on the structural requirements for improved buffer layer materials in combinations with metal oxide transport layer used as substrates in the solar cell architecture.
Izvorni jezik
Engleski
Znanstvena područja
Fizika, Kemija
POVEZANOST RADA
Projekti:
HRZZ-DOK-2021-02-2147 - Nanokompoziti s perovskitima za fotovoltaike, fotokatalizu i senzoriku (NanoPeroPhotoSens) (Lukačević, Igor, HRZZ ) ( CroRIS)
-- - Niskodimenzionalni nanomaterijali - svojstva i primjene (Lukačević, Igor) ( CroRIS)
HRZZ-IP-2018-01-5246 - Nanokompoziti s perovskitima za fotovoltaike, fotokatalizu i senzoriku (NanoPeroPhotoSens) (Gajović, Andreja, HRZZ - 2018-01) ( CroRIS)
Ustanove:
Sveučilište u Osijeku - Odjel za fiziku
Citiraj ovu publikaciju:
Časopis indeksira:
- Current Contents Connect (CCC)
- Web of Science Core Collection (WoSCC)
- Science Citation Index Expanded (SCI-EXP)
- SCI-EXP, SSCI i/ili A&HCI
- Scopus