Abstract
Young's moduli of selected amino acid molecular crystals were studied both experimentally and computationally using nanoindentation and dispersion-corrected density functional theory. The Young modulus is found to be strongly facet-dependent, with some facets exhibiting exceptionally high values (as large as 44 GPa). The magnitude of Young's modulus is strongly correlated with the relative orientation between the underlying hydrogen-bonding network and the measured facet. Furthermore, we show computationally that the Young modulus can be as large as 70-90 GPa if facets perpendicular to the primary direction of the hydrogen-bonding network can be stabilized. This value is remarkably high for a molecular solid and suggests the design of hydrogen-bond networks as a route for rational design of ultra-stiff molecular solids.
| Original language | English |
|---|---|
| Pages (from-to) | 13566-13570 |
| Number of pages | 5 |
| Journal | Angewandte Chemie - International Edition |
| Volume | 54 |
| Issue number | 46 |
| DOIs | |
| State | Published - 9 Nov 2015 |
Keywords
- Young's modulus
- amino acids
- crystallography
- density functional calculations
- mechanical properties
All Science Journal Classification (ASJC) codes
- Catalysis
- General Chemistry