[15p-70A_101-1~13] Atomic Layer Process (ALP) analysis and application technologies (3)

5:15 PM - 5:30 PM JST(8:15 AM - 8:30 AM UTC)

[15p-70A_101-11] Prediction of Vapor Pressure Parameters Based on Adsorption Free Energy Calculations of ALD Precursors Using uMLIP

〇Yusuke Asano¹ (1.Matlantis Corp.)

Keywords:

ALD precursor,Vapor Pressure Parameters Prediction,uMLIP

To predict the vapor pressure of ALD precursors, we calculated adsorption free energies using the uMLIP (PFP). By fitting adsorption data for various surfaces to a planar equation, we identified a strong correlation between the derived thermodynamic coefficients and the Antoine parameters, particularly the heat of vaporization term (B). A regression model based on this method accurately reproduced experimental values for precursors such as Co prcursor. This approach serves as a useful novel screening method for predicting bulk properties from adsorption behavior.