High performance computational techniques are becoming increasingly important in the design and optimisation of materials and structures used in photovoltaic devices. Researchers are focussing their efforts on areas such as; developing a detailed understanding of more established PV technologies such as thin film cadmium telluride PV, exploring the fundamental mechanisms that occur in perovskite PV, and uncovering potentially disruptive PV materials combinations. This FREE webinar brings together leading figures in applying techniques such as Density Functional Theory, Molecular Dynamics and Machine Learning to PV materials to predict and explain their observed behaviour and characteristics, giving valuable insight into their approaches and techniques.

14.00 – 14.10: Welcome from Event Chair: Prof. Roger Smith (Loughborough University)

Speakers:

14.10 – 14.45: Prof. David Scanlon (University College London) “Computational discovery of optimal dopants for high performance TCOs”

14.45 – 15.10: Dr. Pooja Goddard (Loughborough University) “Chlorine: the Magic Ingredient in CdTe solar cell production”

15.10 – 15.35: Dr. Nourdine Zibouche (University of Bath) “Understanding degradation mechanisms and ion conductivity in metal-halide perovskites”

15.35-16.00: Dr. Zhenzhu Li  (Imperial College London) “Metal halide perovskite polytypes: energetics and electronics”

16.00 – 16.25: Dr Peter Hatton (Los Alamos National Laboratory) “Atomistic modelling of inert gas bubble growth in magnetron sputtered thin film CdTe”