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Bibliographic record number: 645275

Journal

Authors: Wu, Yabi; Lazić, Predrag; Hautier, Geoffroy; Persson, Kristin; Ceder, Gerbrand
Title: First principles high throughput screening of oxynitrides for water-splitting photocatalysts
( First principles high throughput screening of oxynitrides for water-splitting photocatalysts )
Source: Energy & Environmental Science (1754-5692) 6 (2013), 1; 157-168
Paper type: article
Keywords: oxynitrides; photocatalysts; water-splitting
( oxynitrides; photocatalysts; water-splitting )
Abstract:
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.
Project / theme: 098-0352828-2863
Original language: eng
Citation databases: Current Contents Connect (CCC)
Scopus
SCI-EXP, SSCI i/ili A&HCI
Science Citation Index Expanded (SCI-EXP) (sastavni dio Web of Science Core Collectiona)
Category: Znanstveni
Research fields:
Physics,Chemistry
URL: http://pubs.rsc.org/en/Content/ArticleLanding/2013/EE/c2ee23482c#!divAbstract
Broj citata:
Altmetric:
DOI: 10.1039/c2ee23482c
URL cjelovitog rada:
Google Scholar: First principles high throughput screening of oxynitrides for water-splitting photocatalysts
Contrib. to CROSBI by: Damir Šokčević (Damir.Sokcevic@irb.hr), 3. Lis. 2013. u 16:35 sati



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