Table 1 DFT calculated molecular dipoles and crystal dipoles for each tripeptide, and the corresponding experimentally measured piezoelectric response.
From: Molecular engineering of piezoelectricity in collagen-mimicking peptide assemblies
Peptide | Molecule dipole (Debye) | Crystal dipole (Debye) | Space group no. | Longitudinal response permitted? | Shear response permitted? | Longitudinal response (pm V−1) | Shear response (pm V−1) |
|---|---|---|---|---|---|---|---|
Pro-Phe-Phe | 7.9 | 2.8 | 4 | Yes | Yes | 2.2 | <0.1 |
Hyp-Phe-Phe | 6.7 | 1.9 | 1 | Yes | Yes | 4.0 | 16 |
