Modeling, Simulation, and Implementation of Solar-Driven Water-Splitting Devices

Chengxiang Xiang, Adam Z. Weber, Shane Ardo, Alan Berger, Yi Kai Chen, Robert Coridan, Katherine T. Fountaine, Sophia Haussener, Shu Hu, Rui Liu, Nathan S. Lewis, Miguel A. Modestino, Matthew M. Shaner, Meenesh R. Singh, John C. Stevens, Ke Sun, Karl Walczak

Research output: Contribution to journalReview articlepeer-review


An integrated cell for the solar-driven splitting of water consists of multiple functional components and couples various photoelectrochemical (PEC) processes at different length and time scales. The overall solar-to-hydrogen (STH) conversion efficiency of such a system depends on the performance and materials properties of the individual components as well as on the component integration, overall device architecture, and system operating conditions. This Review focuses on the modeling- and simulation-guided development and implementation of solar-driven water-splitting prototypes from a holistic viewpoint that explores the various interplays between the components. The underlying physics and interactions at the cell level is are reviewed and discussed, followed by an overview of the use of the cell model to provide target properties of materials and guide the design of a range of traditional and unique device architectures.

Original languageEnglish (US)
Pages (from-to)12974-12988
Number of pages15
JournalAngewandte Chemie - International Edition
Issue number42
StatePublished - Oct 10 2016


  • device architecture
  • hydrogen
  • modeling
  • photoelectrochemistry
  • solar-driven water splitting

ASJC Scopus subject areas

  • Catalysis
  • General Chemistry


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