Using atomistic simulations to model cadmium telluride thin film growth

Using atomistic simulations to model cadmium telluride thin film growth.

Cadmium telluride (CdTe) is an excellent material for low-cost, high efficiency thin film solar cells. It is important to conduct research on how defects are formed during the growth process, since defects lower the efficiency of solar cells. In this work we use computer simulation to predict the growth of a sputter deposited CdTe thin film. On-the-fly kinetic Monte Carlo technique is used to s...

Polycrystalline Thin-Film Cadmium Telluride Solar Cells Fabriacted by Electrodeposition

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Growth modification of seeded calcite using carboxylic acids: atomistic simulations.

Molecular dynamics simulations were used to investigate possible explanations for experimentally observed differences in the growth modification of calcite particles by two organic additives, polyacrylic acid (PAA) and polyaspartic acid (p-ASP). The more rigid backbone of p-ASP was found to inhibit the formation of stable complexes with counter-ions in solution, resulting in a higher availabili...

Polycrystalline Thin Film Cadmium Telluride Solar Cells Fabricated by Electrodeposition; Annual Technical Report, 20 March 1995 -- 19 March 1996

Atomistic surface erosion and thin film growth modelled over realistic time scales.

We present results of atomistic modelling of surface growth and sputtering using a multi-time scale molecular dynamics-on-the-fly kinetic Monte Carlo scheme which allows simulations to be carried out over realistic experimental times. The method uses molecular dynamics to model the fast processes and then calculates the diffusion barriers for the slow processes on-the-fly, without any preconcep...