Pregled bibliografske jedinice broj: 645275
First principles high throughput screening of oxynitrides for water-splitting photocatalysts
First principles high throughput screening of oxynitrides for water-splitting photocatalysts // Energy & Environmental Science, 6 (2013), 1; 157-168 doi:10.1039/c2ee23482c (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 645275 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
First principles high throughput screening of oxynitrides for water-splitting photocatalysts
Autori
Wu, Yabi ; Lazić, Predrag ; Hautier, Geoffroy ; Persson, Kristin ; Ceder, Gerbrand
Izvornik
Energy & Environmental Science (1754-5692) 6
(2013), 1;
157-168
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
oxynitrides; photocatalysts; water-splitting
Sažetak
In this paper, we present a first principles high throughput screening system to search for new water-splitting photocatalysts. We use the approach to screen through nitrides and oxynitrides. Most of the known photocatalytic materials in the screened chemical space are reproduced. In addition, sixteen new materials are suggested by the screening approach as promising photocatalysts, including three binary nitrides, two ternary oxynitrides and eleven quaternary oxynitrides.
Izvorni jezik
Engleski
Znanstvena područja
Fizika, Kemija
POVEZANOST RADA
Projekti:
098-0352828-2863 - Površine i nanostrukture: Teorijski pristupi i numerički proračuni (Šokčević, Damir, MZOS ) ( CroRIS)
Ustanove:
Institut "Ruđer Bošković", Zagreb
Profili:
Predrag Lazić
(autor)
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
