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

Search for potential precursors for Si-atomic layer deposition- a quantum chemical study