Supplementary Material for First Principles Reaction Processes of Co(CO)3NO as an Atomic Layer Deposition Precursor on SiO2 and Co surfaces

Table S1. Simulations results of lattice constant and Co(0001) surface energy calculated from DFT and LAMMPS using EAM and MEAM potentials. Figure S1. Extrapolation of Co phonon thermal conductivity using EAM and MEAM potentials. Figure S2. (a) Total energy, (b) electron energy and (c) global lattice temperature evolution after electronic energy injection from incoming electrons. Figure S3. Surface local lattice temperature evolution after electronic energy injection from incoming electrons. (a-f) represents the surface temperature profile after 0, 2, 4, 6, 8, and 10 fs, respectively.