Database-driven high-throughput study of coating materials for hybrid perovskites
We developed a high-throughput screening scheme to acquire candidate coating materials for hybrid perovskites. From more than 1.8 million entries of an inorganic compound database, we collected 93 binary and ternary materials with promising properties for protectively coating halide-perovskite photo...
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
IOP Publishing
2019-01-01
|
| Series: | New Journal of Physics |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/1367-2630/ab34f0 |
| _version_ | 1797750039375773696 |
|---|---|
| author | Azimatu Seidu Lauri Himanen Jingrui Li Patrick Rinke |
| author_facet | Azimatu Seidu Lauri Himanen Jingrui Li Patrick Rinke |
| author_sort | Azimatu Seidu |
| collection | DOAJ |
| description | We developed a high-throughput screening scheme to acquire candidate coating materials for hybrid perovskites. From more than 1.8 million entries of an inorganic compound database, we collected 93 binary and ternary materials with promising properties for protectively coating halide-perovskite photoabsorbers in perovskite solar cells. These candidates fulfill a series of criteria, including wide band gaps, abundant and non-toxic elements, water-insoluble, and small lattice mismatch with surface models of halide perovskites. |
| first_indexed | 2024-03-12T16:28:02Z |
| format | Article |
| id | doaj.art-fc4074d9f6484850a7795ad0745e5acc |
| institution | Directory Open Access Journal |
| issn | 1367-2630 |
| language | English |
| last_indexed | 2024-03-12T16:28:02Z |
| publishDate | 2019-01-01 |
| publisher | IOP Publishing |
| record_format | Article |
| series | New Journal of Physics |
| spelling | doaj.art-fc4074d9f6484850a7795ad0745e5acc2023-08-08T15:39:55ZengIOP PublishingNew Journal of Physics1367-26302019-01-0121808301810.1088/1367-2630/ab34f0Database-driven high-throughput study of coating materials for hybrid perovskitesAzimatu Seidu0Lauri Himanen1Jingrui Li2Patrick Rinke3Department of Applied Physics, Aalto University , PO Box 11100, FI-00076 AALTO, FinlandDepartment of Applied Physics, Aalto University , PO Box 11100, FI-00076 AALTO, FinlandDepartment of Applied Physics, Aalto University , PO Box 11100, FI-00076 AALTO, FinlandDepartment of Applied Physics, Aalto University , PO Box 11100, FI-00076 AALTO, FinlandWe developed a high-throughput screening scheme to acquire candidate coating materials for hybrid perovskites. From more than 1.8 million entries of an inorganic compound database, we collected 93 binary and ternary materials with promising properties for protectively coating halide-perovskite photoabsorbers in perovskite solar cells. These candidates fulfill a series of criteria, including wide band gaps, abundant and non-toxic elements, water-insoluble, and small lattice mismatch with surface models of halide perovskites.https://doi.org/10.1088/1367-2630/ab34f0perovskitessolar cellscoating materialsinterlayer materialsdatabase |
| spellingShingle | Azimatu Seidu Lauri Himanen Jingrui Li Patrick Rinke Database-driven high-throughput study of coating materials for hybrid perovskites New Journal of Physics perovskites solar cells coating materials interlayer materials database |
| title | Database-driven high-throughput study of coating materials for hybrid perovskites |
| title_full | Database-driven high-throughput study of coating materials for hybrid perovskites |
| title_fullStr | Database-driven high-throughput study of coating materials for hybrid perovskites |
| title_full_unstemmed | Database-driven high-throughput study of coating materials for hybrid perovskites |
| title_short | Database-driven high-throughput study of coating materials for hybrid perovskites |
| title_sort | database driven high throughput study of coating materials for hybrid perovskites |
| topic | perovskites solar cells coating materials interlayer materials database |
| url | https://doi.org/10.1088/1367-2630/ab34f0 |
| work_keys_str_mv | AT azimatuseidu databasedrivenhighthroughputstudyofcoatingmaterialsforhybridperovskites AT laurihimanen databasedrivenhighthroughputstudyofcoatingmaterialsforhybridperovskites AT jingruili databasedrivenhighthroughputstudyofcoatingmaterialsforhybridperovskites AT patrickrinke databasedrivenhighthroughputstudyofcoatingmaterialsforhybridperovskites |