Modelling approaches to guide best conceptual device classes and research pathways for photo-driven processing of chemical commodities
Sophia Haussener a
a Ecole Polytechnique Federale de Lausanne (EPFL), Lausanne, Switzerland
Materials for Sustainable Development Conference (MATSUS)
Proceedings of nanoGe September Meeting 2017 (NFM17)
SF1: Material and Device Innovations for the Practical Implementation of Solar Fuels (SolarFuel17)
Barcelona, Spain, 2017 September 4th - 9th
Organizers: Wilson Smith and Ki Tae Nam
Invited Speaker, Sophia Haussener, presentation 153
Publication date: 20th June 2016

The functionality of photo-driven electrochemical devices relies on complicated and coupled multi-physics processes, happening on multiple temporal and spatial scales. Device modelling can efficiently and actively support the choice of the most interesting – in terms of efficiency, cost, robustness, scalability, and practicability – conceptual design pathways, material choices, and operating approaches.

Models of photo-driven electrochemical devices and components can incorporate a wide range of physical phenomena and complexity. I will discuss the merit of and lessons learned from device models incorporating different degree of complexity and dimensionality. This will include i) steady and transient 0-dimensional model for the discussion of material choices, degradation and device integration, ii) steady 1-dimensional models to understand the semiconductor-electrolyte interface’s role on the performance of photocatalytic and photoelectrochemical device designs, iii) stead 2-dimensional models for the discussion of the effect of temperature and het management on the performance, and iv) 3-dimensional model for the detailed understanding of transport limitations in morphologically-complex photoelectrodes.

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