Fig. 4 | npj Computational Materials

Fig. 4

From: Identification of stable adsorption sites and diffusion paths on nanocluster surfaces: an automated scanning algorithm

Fig. 4

Accuracy of the Automated Cluster Surface Scanning (ACSS) method. Parity plots of the energies of minima and transition states, relative to the global minimum for each system, derived from ACSS and manually performed (MP) calculations for the (a) Pt55 + H and (b) Au18 + H systems. Full lines represent linear fits to the data, and gray regions represent the 95% confidence intervals for the fits

Back to article page