posted on 2024-09-05, 12:01authored byZhongtao Shen, Zhaoyue Lü, Zhehao Chen, Junling Wang, Haichuan Mu
In this file, the chemical structure of the organic materials used and the specific device preparation process are provided. It also includes the optimized geometrical structures and frontier molecular orbitals energy levels of the monomers and the formed dimers obtained by chemical quantum calculation and more detailed discussions on devices.