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Combined Macro/Nanoscale Investigation of the Chemical Vapor Deposition of Fe from Fe(CO) 5
Author(s) -
Aviziotis Ioannis G.,
Duguet Thomas,
Vahlas Constantin,
Boudouvis Andreas G.
Publication year - 2017
Publication title -
advanced materials interfaces
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.671
H-Index - 65
ISSN - 2196-7350
DOI - 10.1002/admi.201601185
Subject(s) - materials science , chemical vapor deposition , iron pentacarbonyl , nanoscopic scale , deposition (geology) , surface roughness , chemical engineering , carbon monoxide , decomposition , combustion chemical vapor deposition , torr , nanotechnology , analytical chemistry (journal) , thin film , composite material , carbon film , inorganic chemistry , thermodynamics , environmental chemistry , catalysis , organic chemistry , chemistry , paleontology , physics , sediment , engineering , biology
Experiments and computations are performed to model the chemical vapor deposition of iron (Fe) from iron pentacarbonyl (Fe(CO) 5 ). The behavior of the deposition rate is investigated as a function of temperature, in the range 130–250 °C, and pressure in the range 10–40 Torr. Furthermore, the evolution of the surface roughness is correlated with the deposition temperature. By combining previously published mechanisms for the decomposition of Fe(CO) 5 , a predictive 3D macroscale model of the process is built. Additionally, a nanoscale and a multiscale framework are developed for linking the evolution of the surface of the film with the operating conditions at the reactor scale. The theoretical predictions from the coupled macro/nanoscale models are in very good agreement with experimental measurements indicating poisoning of the surface from carbon monoxide and decrease of the film roughness when temperature increases.