Evolution of CH3NO2/Si interfacial chemistry under reaction conditions: a combined experimental and theoretical study†
Abstract
Dissociative adsorption of CH3NO2 onto a Si(100)-2 × 1 surface is studied using ambient-pressure X-ray photoelectron spectroscopy (AP-XPS) and density functional theory (DFT) calculations. The unprecedented scission of the C–N bond in CH3NO2 and the formation of a Si–CH3 surface species are observed at elevated CH3NO2 pressure (0.5 mbar) and temperature (>573 K).