Jump to Main Content
- Jiang, Shengshi, et al. Show all 4 Authors
- The Journal of Physical Chemistry C 2016 v.120 no.3 pp. 1375-1389
- energy conversion; equations; microscopy; models; physical chemistry; quantum mechanics; solar collectors; solar energy
- ... Singlet fission (SF) is supposed to potentially improve the efficiency of solar energy conversion in organic photovoltaic systems. The multilayer multiconfigurational time-dependent Hartree (ML-MCTDH) method was employed to describe the singlet fission of the pentacene system with a three-state model. The ML-MCTDH result agrees well with the previous simulations using the Redfield theory, the hier ...
- Jiang, Shengshi, et al. Show all 6 Authors
- The Journal of Physical Chemistry C 2017 v.121 no.49 pp. 27263-27273
- energy conversion; energy transfer; models; photovoltaic cells; physical chemistry; quantum mechanics; solar collectors; solar energy
- ... Photoinduced excited-state energy transfer (EET) processes play a key role in the solar energy conversion of small molecule organic solar cells. We investigated intermolecular EET dynamics in the 2-[[7-(5-N,N-ditolylaminothiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]methylene]malononitrile (DTDCTB) dimer embedded in a crystal environment using full quantum dynamics, i.e., the multilayer multiconfigura ...