Dr Jorge Ontaneda


Research Overview

DFT modelling, Ferroelectric materials, Bulk photovoltaic effect


Ferroelectric Nanocomposites for Enhanced Solar Energy Efficiency (FENCES)

This research aims to produce novel ferroelectric-photoactive nanocomposite thin films for high efficiency solar energy conversion. The project involves the prediction and development of nanostructured thin films of optimal ferroelectric materials, which produce a bulk photovoltaic effect. These will then be coupled to emerging light absorbing, photoactive materials to produce nanocomposites, which will be studied in detail to understand their interactions. Finally, photovoltaic and photoelectrocatalytic devices will be produced and tested, aiming to demonstrate new routes to exceed current efficiency limits for solar energy conversion.

My rol on the project consists of a range of computational modelling activities. These are targeted at three main areas: i) prediction of suitable materials; ii) ab initio modelling of the material interfaces; iii) scale up of the models using a range of techniques, as well as potentially full system and device modelling such as through finite element methods, drift-diffusion and equivalent circuit modelling. The results from these models will be compared to experimental data in order to understand and validate the material interactions and device behaviour.