W.H. Chen1, C.W. Hong1,2
CMC-Computers, Materials & Continua, Vol.21, No.2, pp. 147-170, 2011, DOI:10.3970/cmc.2011.021.147
Abstract Nanorod/nanowell/nanotube arrays are effective nanotechnologies that can increase the performance of a photo-electrochemical solar cell by increasing the reaction area of the working electrode. However, the confined space due to the nano-arrays also tends to decrease the redox ion diffusivity. This paper describes computer modeling on the ionic diffusion of the active species (I-/I3-) among the nano-arrays of the working electrode material (TiO2). A three dimensional periodic boundary molecular dynamics simulation technique is employed to simulate the nano-scale transport phenomenon. Performance improvement tendency can be evaluated from the Butler-Volmer equation. Simulation results reveal that the More >
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