Data · dataset · 2026
Density functional theory study of the mechanism and reactions of perovskites
Listed in ZivaHub and Deakin Research Online and DMU Figshare — shown once because both records carry DOI 10.17034/32641836.v1
Perovskites have transformed the fields of photovoltaics and catalysis with their exceptional optoelectronic properties, tunable band structures, and cost-effective fabrication.
Description
Their versatility in applications ranging from solar cells to photocatalysis makes them a crucial material for advancing sustainable energy solutions and addressing global energy challenges. However, challenges related to their stability and efficiency must be overcome to fully realize their potential.
In this thesis, we employ density functional theory (DFT) calculations to investigate two key aspects of perovskite materials: the behavior of photo-generated electrons and holes, and the structural factors influencing the power conversion efficiency (PCE) of perovskite solar cells (PSCs), aiming to achieve a deeper atomic-level understanding of these materials.<br><br><i>Thesis is embargoed until 31 December 2030.</i>
Links
Where it is published
- DOI doi.org/10.17034/32641836.v1 ↗
DOI / persistent id · from zivahub uct ac za
Catalogue records · 1
- OAI-PMH record api.figshare.com/v2/oai?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai%3Af… ↗
metadata API · from zivahub uct ac za
Topics
Provenance · 3 source records, 11 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| ZivaHub | oai:figshare.com:article/32641836 | 5 d ago | JSON v1 |
| Deakin Research Online | oai:figshare.com:article/32641836 | 5 d ago | JSON v1 |
| DMU Figshare | oai:figshare.com:article/32641836 | 5 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · figshare dmu ac uk | connector:figshare_dmu_ac_uk@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · dro deakin edu au | connector:dro_deakin_edu_au@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | |
| concepts[method].local:method:dft | mapping · figshare dmu ac uk | vocabulary-mapper@1.0.0 | keywords['DFT'] |
| concepts[method].local:method:dft | mapping · zivahub uct ac za | vocabulary-mapper@1.0.0 | keywords['DFT'] |
| concepts[method].local:method:dft | mapping · dro deakin edu au | vocabulary-mapper@1.0.0 | keywords['DFT'] |
| description | source · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | /metadata/dc/description |
| license_text | source · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | |
| publication_date | source · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | |
| title | source · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | /metadata/dc/title |