The energy levels and geometry calculation for photoelectric materials
||The energy levels and geometry calculation for photoelectric materials|
||SNIC Small Compute|
||Zhaoyang Yao <email@example.com>|
||Kungliga Tekniska högskolan|
||2018-11-15 – 2020-12-01|
In order to investigate the influence of various electron-donating modules on the distribution of energy levels and energy gaps, we want to employ the density functional theory (DFT) calculations of dye molecules. The energy levels and geometry are very important for the improvement of the PCE. So I expect to apply the center to define my research more clearly.