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Pregled bibliografske jedinice broj: 645275

First principles high throughput screening of oxynitrides for water-splitting photocatalysts


Wu, Yabi; Lazić, Predrag; Hautier, Geoffroy; Persson, Kristin; Ceder, Gerbrand
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)


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


Projekt / tema
098-0352828-2863 - Površine i nanostrukture: Teorijski pristupi i numerički proračuni (Damir Šokčević, )

Ustanove
Institut "Ruđer Bošković", Zagreb

Autor s matičnim brojem:
Predrag Lazić, (236662)

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


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