Project abstract for group gladfelt

Computational Study of Surface Chemistry in Atomic Layer Deposition (ALD)

This group's work in the field of ALD produces a large amount of data that requires either computational or theoretical support to maximize the impact of the data. The researchers have been able to detect a chemical signal of a reaction byproduct, and then computationally work out a partial mechanism that is consistent with the data. Results from the computations have recently been published (see attached bibliography). The researchers plan to continue the ALD calculations on different organometallic precursors so that they can understand the interaction of ozone with organotin compounds. This chemistry is important for depositing transparent conducting oxides (TCO) used in many industrial applications. 

A bibliography of this group’s publications acknowledging MSI is attached.