Development of Semi-Empirical and Machine Learning Models for Photoelectrochemical Cells

Niranjan Sunderraj, Shankar Raman Dhanushkodi (), Ramesh Kumar Chidambaram, Bohdan Węglowski (), Dorota Skrzyniowska, Mathias Schmid and Michael William Fowler ()
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Niranjan Sunderraj: Dhanushkodi Research Group, Department of Chemical Engineering, Vellore Institute of Technology, Vellore 632014, India
Shankar Raman Dhanushkodi: Dhanushkodi Research Group, Department of Chemical Engineering, Vellore Institute of Technology, Vellore 632014, India
Ramesh Kumar Chidambaram: Automotive Research Center, School of Mechanical Engineering, Vellore Institute of Technology, Vellore 632014, India
Bohdan Węglowski: Institute of Thermal Power Engineering, Cracow University of Technology, 31-864 Cracow, Poland
Dorota Skrzyniowska: Institute of Thermal Power Engineering, Cracow University of Technology, 31-864 Cracow, Poland
Mathias Schmid: ZHAW School of Engineering, ICP—Institute of Computational Physics, Technikumstrasse 71, CH-8401 Winterthur, Switzerland
Michael William Fowler: Department of Chemical Engineering, University of Waterloo, Waterloo, ON N2L3G1, Canada

Energies, 2024, vol. 17, issue 21, 1-18

Abstract: We introduce a theoretical model for the photocurrent-voltage (I-V) characteristics designed to elucidate the interfacial phenomena in photoelectrochemical cells (PECs). This model investigates the sources of voltage losses and the distribution of photocurrent across the semiconductor–electrolyte interface (SEI). It calculates the whole exchange current parameter to derive cell polarization data at the SEI and visualizes the potential drop across n-type cells. The I-V model’s simulation outcomes are utilized to distinguish between the impacts of bulk recombination and space charge region (SCR) recombination within semiconductor cells. Furthermore, we develop an advanced deep neural network model to analyze the electron–hole transfer dynamics using the I-V characteristic curve. The model’s robustness is evaluated and validated with real-time experimental data, demonstrating a high degree of concordance with observed results.

Keywords: photochemical cell; space charge width; recombination; I-V model and electron hole transfer (search for similar items in EconPapers)
JEL-codes: Q Q0 Q4 Q40 Q41 Q42 Q43 Q47 Q48 Q49 (search for similar items in EconPapers)
Date: 2024
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