*3.12. Attachment Energy Calculations*

The attachment energy, *Eatt*, is defined as the energy released on the attachment of a growth slice with the thickness *d*hkl to a growing crystal face [36,37]. *Eatt* is calculated as *Eatt* = *Elattice* − *Eslice*, where *Elattice* is the lattice energy of the crystal, and *Eslice* is the energy released on the formation of a growth slice of a thickness equal to the interplanar d-spacing, *d*hkl.

Crystal morphology predictions were performed using Material Studio 2018 (Biovia, San Diego, CA, USA). The growth morphology method (with COMPASS II force field) was used to generate *Eatt* of different crystal faces. All calculations were performed at fine quality with "Ewald" electrostatic summation method and "atom-based" van der Waals summation method. The crystallographic planes with least total *Eatt* were identified as slip planes. Additionally, *Eatt* calculations were also performed using Dreiding force field (with "charge Qeq" and "current charge").
