Work

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

Year: 2012

Type: article

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.

Source: Energy & Environmental Science

DOI: 10.1039/c2ee23482c

Authors: Yabi Wu, Predrag Lazic, Geoffroy Hautier, Kristin Persson, Gerbrand Ceder

Institutions: Massachusetts Institute of Technology, Lawrence Berkeley National Laboratory

Language: English

Topic: Advanced Photocatalysis Techniques

Subfield: Renewable Energy, Sustainability and the Environment

Field: Energy

Domain: Physical Sciences

SDG: Affordable and clean energy

Open Access status: green

OpenAlex ID: W2013772245

FWCI: 5.097

Cites: 64

Cited by: 346

Related to: 10