Energy levels of small organic molecules as well as their reorganization energies
||Energy levels of small organic molecules as well as their reorganization energies|
||SNIC Small Compute|
||Wei Zhang <email@example.com>|
||Kungliga Tekniska högskolan|
||2018-10-25 – 2020-11-01|
Triphenylamine (TPA) based metal complexes were designed and synthesized via coordination to Ni(II), Cu(II) and Zn(II) using their respective acetate salts as starting materials. In order to apply them as hole transport materials in perovskite solar cells, It is important to know their enery levels and reorganization energies by calsulations.