Calculated elastic constants C11 and C12 (N m−1), 2D Young's modulus Y2D (N m−1), 2D shear modulus G2D (N m−1), and Poisson's ratio ν of the surface-functionalizated BP.
C 11 | C 12 | C 2D | G 2D | ν | |
---|---|---|---|---|---|
BP | 146.285 | 38.753 | 136.019 | 53.766 | 0.265 |
Cl–BP–Cl | 104.858 | 18.373 | 101.639 | 43.243 | 0.175 |
Cl–BP–Br | 102.896 | 19.457 | 99.216 | 41.719 | 0.189 |
Br–BP–Cl | 101.503 | 26.531 | 94.568 | 37.486 | 0.261 |
Br–BP–Br | 103.361 | 23.472 | 98.030 | 39.944 | 0.227 |