Sökning: WFRF:(Pullerits Tonu)
> (2023) >
Charge-Separated St...
Charge-Separated States Determined Photoinduced Electron Transfer Efficiency in a D-D-A System in an External Electric Field
-
- Wang, Xinyue (författare)
- Liaoning University
-
- Wang, Hongxiang (författare)
- Liaoning University
-
- Zhang, Meixia (författare)
- Liaoning University
-
visa fler...
-
- Pullerits, Tõnu (författare)
- Lund University,Lunds universitet,NanoLund: Centre for Nanoscience,Annan verksamhet, LTH,Lunds Tekniska Högskola,Kemisk fysik,Enheten för fysikalisk och teoretisk kemi,Kemiska institutionen,Institutioner vid LTH,LTH profilområde: Nanovetenskap och halvledarteknologi,LTH profilområden,LTH profilområde: Avancerade ljuskällor,Other operations, LTH,Faculty of Engineering, LTH,Chemical Physics,Physical and theoretical chemistry,Department of Chemistry,Departments at LTH,Faculty of Engineering, LTH,LTH Profile Area: Nanoscience and Semiconductor Technology,LTH Profile areas,Faculty of Engineering, LTH,LTH Profile Area: Photon Science and Technology,Faculty of Engineering, LTH
-
- Song, Peng (författare)
- Liaoning University
-
visa färre...
-
(creator_code:org_t)
- 2023-02-07
- 2023
- Engelska.
-
Ingår i: Journal of Physical Chemistry C. - : American Chemical Society (ACS). - 1932-7447 .- 1932-7455.
- Relaterad länk:
-
http://dx.doi.org/10...
-
visa fler...
-
https://lup.lub.lu.s...
-
https://doi.org/10.1...
-
visa färre...
Abstract
Ämnesord
Stäng
- Focusing on the photoinduced electron transfer properties of the D-D-A molecule ((TPA-TT)-BODIPY-C60) in an external electric field (Fext), the excited-state properties in which the double-donor molecule is excited to form three charge-separated states were simulated. The charge-Transfer processes of these three charge-separated states were investigated by considering the two donors as a whole ((TPA-TT-BODIPY)·+-C60·-) as a comparison object. The electronic coupling (VDA), reorganization energy (λ), and free energy (δG) of the different charge-separated states in Fext were calculated and simulated. The calculated results show that the λ of (TPA-TT-BODIPY)·+-C60·- ranges from 0.576 to 0.51 eV, and the calculated δG of exciton dissociation ranges from-1.402 to-1.143 eV, indicating that exciton dissociation occurs in the Marcus inverted region. In the range of Fext =-10 × 10-5 to 10 × 10-5 au, the trend of the charge-Transfer rate is gradually increasing, and the rate increase is mainly from the VDA and δG changes. Moreover, the rapid formation of the (TPA-TT)-BODIPY·+-C60·- charge-separated state and the formation of the long-lived (TPA-TT)·+-BODIPY-C60·- are indicated by the exciton dissociation rate. By studying the charge-Transfer parameters under different electric field directions, it is found that the regulation of electric field strength on the charge-Transfer rate is consistent. These results provide a feasible method for the rational design of a new type of electron transfer process with high efficiency of the D-D-A system.
Ämnesord
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
Publikations- och innehållstyp
- art (ämneskategori)
- ref (ämneskategori)
Hitta via bibliotek
Till lärosätets databas