Search: WFRF:(Pullerits Tonu)
> (2023) >
Exploring the effec...
-
Wang, XinyueLiaoning University
(author)
Exploring the effect of electric field on charge-transfer states at non-fullerene D/A interface
- Article/chapterEnglish2023
Publisher, publication year, extent ...
Numbers
-
LIBRIS-ID:oai:lup.lub.lu.se:0c2820ce-c557-4f0e-ae0e-1729f20a9179
-
https://lup.lub.lu.se/record/0c2820ce-c557-4f0e-ae0e-1729f20a9179URI
-
https://doi.org/10.1016/j.molliq.2023.122962DOI
Supplementary language notes
-
Language:English
-
Summary in:English
Part of subdatabase
Classification
-
Subject category:art swepub-publicationtype
-
Subject category:ref swepub-contenttype
Notes
-
Using Marcus theory, the electric-field-dependent charge-separation dynamics of non-fullerene acceptors D/A heterojunctions are simulated. On the D/A interface, the excited-state characteristics show obvious differences under different electric field intensities, providing microscopic details of the non-fullerene D/A interface at the atomic level. For different electric field conditions, so the calculated reorganization energy ranges from 0.97 to 1 eV. By comparing other charge transfer parameters of this system, it was found that the reorganization energy mainly determines the charge-transfer rate. The results show that the charge transfer rate does exhibit a variation that depends on the electric field intensity and is consistent with the variation in the Marcus inverted region. By evaluating the rate of charge separation/recombination, it is judged that its charge separation shows significant advantages, and the trifurcated structure of the molecule also provides multiple charge transfer paths for charge separation, which contributes to the charge generation mechanism.
Subject headings and genre
Added entries (persons, corporate bodies, meetings, titles ...)
-
Guo, HuijieLiaoning University
(author)
-
Kang, DaweiLiaoning University
(author)
-
Pullerits, TõnuLund 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,LU profilområde: Ljus och material,Lunds universitets profilområden,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,LU Profile Area: Light and Materials,Lund University Profile areas(Swepub:lu)chph-tp
(author)
-
Song, PengLiaoning University
(author)
-
Liaoning UniversityNanoLund: Centre for Nanoscience
(creator_code:org_t)
Related titles
-
In:Journal of Molecular Liquids3900167-7322
Internet link
Find in a library
To the university's database