参数 | EHOMO/eV | ELUMO/eV | ΔE/eV | μ/eV (化学势) | η/eV (硬度) | S/eV (软度) |
BZA | −4.198 | −1.145 | 3.053 | −2.6751 | 1.5265 | 0.65509 |
BZT | −4.804 | −1.635 | 3.169 | −3.2195 | 1.5845 | 0.63111 |