  Thin film of silicon is an interesting material for many technological
applications in electronic industry and in energy harvesting technologies, but
requires a method for controlled growth of thin films. The purpose of this
study is to screen a wide variety of Si content precursors for Si ALD reactions
using state-of-the-art density-functional calculations. Among the studied 85 Si
content precursors we found that C7H12OSi(Methoxy-trivinyl-silane) and C7H9NSi
(Benzyliminosilane) show positive indications for ALD reactivity for Si
deposition. We believe that this finding will be helpful to develop low-cost,
high-energy efficiency thin-film solar cells for future scale up implementation
in photovoltaics.
