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Title: Modelling heterogeneous interfaces for solar water splitting

Abstract

The generation of hydrogen from water and sunlight others a promising approach for producing scalable and sustainable carbon-free energy. The key of a successful solar-to-fuel technology is the design of efficient, long-lasting and low-cost photoelectrochemical cells, which are responsible for absorbing sunlight and driving water splitting reactions. To this end, a detailed understanding and control of heterogeneous interfaces between photoabsorbers, electrolytes and catalysts present in photoelectrochemical cells is essential. Here we review recent progress and open challenges in predicting physicochemical properties of heterogeneous interfaces for solar water splitting applications using first-principles-based approaches, and highlights the key role of these calculations in interpreting increasingly complex experiments.

Authors:
; ;
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science - Office of Basic Energy Sciences - Materials Sciences and Engineering Division; National Science Foundation (NSF); USDOE
OSTI Identifier:
1352921
DOE Contract Number:  
AC02-06CH11357
Resource Type:
Journal Article
Journal Name:
Nature Materials
Additional Journal Information:
Journal Volume: 16; Journal Issue: 4; Journal ID: ISSN 1476-1122
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English

Citation Formats

Pham, Tuan Anh, Ping, Yuan, and Galli, Giulia. Modelling heterogeneous interfaces for solar water splitting. United States: N. p., 2017. Web. doi:10.1038/NMAT4803.
Pham, Tuan Anh, Ping, Yuan, & Galli, Giulia. Modelling heterogeneous interfaces for solar water splitting. United States. doi:10.1038/NMAT4803.
Pham, Tuan Anh, Ping, Yuan, and Galli, Giulia. Mon . "Modelling heterogeneous interfaces for solar water splitting". United States. doi:10.1038/NMAT4803.
@article{osti_1352921,
title = {Modelling heterogeneous interfaces for solar water splitting},
author = {Pham, Tuan Anh and Ping, Yuan and Galli, Giulia},
abstractNote = {The generation of hydrogen from water and sunlight others a promising approach for producing scalable and sustainable carbon-free energy. The key of a successful solar-to-fuel technology is the design of efficient, long-lasting and low-cost photoelectrochemical cells, which are responsible for absorbing sunlight and driving water splitting reactions. To this end, a detailed understanding and control of heterogeneous interfaces between photoabsorbers, electrolytes and catalysts present in photoelectrochemical cells is essential. Here we review recent progress and open challenges in predicting physicochemical properties of heterogeneous interfaces for solar water splitting applications using first-principles-based approaches, and highlights the key role of these calculations in interpreting increasingly complex experiments.},
doi = {10.1038/NMAT4803},
journal = {Nature Materials},
issn = {1476-1122},
number = 4,
volume = 16,
place = {United States},
year = {2017},
month = {1}
}