김종윤 교수 연구실
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인용수 0
·2025
Ab-initio Thermodynamic Study of Vapor Pressure of Mo(CO)<sub>6</sub> and Its Initial Surface Reaction on SiO₂ (111) Surface
H. Kim, Saroj Thapa, Sun-Hye Kim, Na-Young Lee, Jong-Yoon Kim, Yeong-Cheol Kim
JSTS Journal of Semiconductor Technology and Science
초록
This study elucidates the sublimation behavior of molybdenum hexacarbonyl (Mo(CO)<sub>6</sub>) based on abinitio thermodynamic calculations. The sublimation temperature of solid Mo(CO)<sub>6</sub> at 1 atm was calculated to be 385K. In addition, the initial reaction mechanism of Mo(CO)<sub>6</sub> on the β-cristobalite SiO2(111) surface was analyzed. Among the considered dissociation pathways, the CO₂-forming pathway, involving the interaction between a CO ligand and a surface oxygen atom, was found to be the most thermodynamically favorable.
키워드
Sublimation (psychology)Dissociation (chemistry)MolybdenumVapor pressureOxygenSolid surface