Mobile QR Code QR CODE

The Journal of Semiconductor Technology and Science (JSTS) is an international, peer-reviewed, and open-access journal that is published bimonthly.
- Scope: semiconductor processes, devices, circuits, and MEMS.
- Editor-in-Chief: Prof. Woo Young Choi (ECE, Seoul National University)
- Indexed within Science Citation Index Expanded (SCIE), SCOPUS, Korea Citation Index (KCI), and other databases.

Journal Search

  1. Home
  2. Archive
  3. JSTS 2025-10(Vol.25 No.05)
PDF INFO
Title Ab-initio Thermodynamic Study of Vapor Pressure of Mo(CO)6 and Its Initial Surface Reaction on SiO2 (111) Surface
Authors (Ha-Neul Kim) ; (Saukinta Thapa) ; (Sun-Hye Kim) ; (Na-Young Lee) ; (Jong-Yoon Kim) ; (Yeong-Cheol Kim)
DOI https://doi.org/10.5573/JSTS.2025.25.5.476
Page pp.476-483
ISSN 1598-1657
Keywords ab-initio thermodynamics; Molybdenum hexacarbonyl (Mo(CO)6); sublimation temperature; SiO2; surface reactions; bond dissociation energy; atomic layer deposition
Abstract This study elucidates the sublimation behavior of molybdenum hexacarbonyl (Mo(CO)6) based on abinitio thermodynamic calculations. The sublimation temperature of solid Mo(CO)6 at 1 atm was calculated to be 385 K. In addition, the initial reaction mechanism of Mo(CO)6 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.