METHOD OF DETERMINING BONDING STRUCTURE OF PRECURSOR FOR ATOMIC LAYER DEPOSITION

摘要

The present invention relates to a method of determining a bonding structure of a precursor for atomic layer deposition. The method of determining a bonding structure of a precursor for atomic layer deposition comprises: a step of selecting a precursor sample for atomic layer deposition; a step of disposing a precursor sample for atomic layer deposition on a silicone substrate to be separated by a first distance through computer simulation; a step of moving the precursor sample for atomic layer deposition to the silicone substrate to be close to the silicone substrate by a second distance through the computer simulation; a step of obtaining a plurality of bonding structures from the precursor sample for atomic layer deposition on a surface of the silicone substrate in revolution and rotation methods; a step of excluding a bonding structure which is positioned relatively close to the silicone substrate or relatively far from the silicone substrate for each bonding structure from the obtained bonding structures; a step of excluding an overlapping bonding structure through calculation of adsorption energy for the remaining bonding structure of the precursor sample for atomic layer deposition according to DFT; a step of determining whether an absolute value of a coordinate distance is in a predetermined distance range by comparing the central coordinates of samples before and after the calculation of the adsorption energy; and a step of determining an optimal bonding structure when the absolute value of the coordinate distance is in a predetermined distance range as a result of the determination in the step.;COPYRIGHT KIPO 2017