Research output: Contribution to journal › Article › peer-review
Straightforward Determination of the Average Electron-Hole Distance in Charge-Transfer State Organic Photovoltaic Donor/Acceptor Composites from Out-of-Phase Electron Spin Echo Data. / Matveeva, Anna G.; Syryamina, Victoria N.; Nekrasov, Vyacheslav M. et al.
In: Journal of Composites Science, Vol. 9, No. 2, 51, 25.01.2025.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Straightforward Determination of the Average Electron-Hole Distance in Charge-Transfer State Organic Photovoltaic Donor/Acceptor Composites from Out-of-Phase Electron Spin Echo Data
AU - Matveeva, Anna G.
AU - Syryamina, Victoria N.
AU - Nekrasov, Vyacheslav M.
AU - Lukina, Ekaterina A.
AU - Molchanov, Ivan A.
AU - Sysoev, Vitalii I.
AU - Kulik, Leonid V.
N1 - This work was supported by RSF grant No. 24-23-00484.
PY - 2025/1/25
Y1 - 2025/1/25
N2 - Photoinduced charge separation at donor–acceptor composites (active layer material of organic solar cells) is an important step of photoelectric energy conversion. It results in the formation of the interfacial charge-transfer state (CTS), which is a Coulombically bound electron-hole pair. We developed the mathematical procedure of direct quantification of the electron-hole distance on the basis of time-domain pulse electron paramagnetic resonance data, obtained in an electron spin echo (ESE) experiment. For an ensemble of CTSs characterized by a distribution of electron-hole distances, this procedure derives the average electron-hole distance without numerical simulation of the experimental data, which is a superposition of the oscillating functions, corresponding to CTSs with a certain electron-hole distance. This procedure was tested on model distance distributions, yielding very accurate results. The data for highly efficient organic photovoltaic composite PM6/Y6 were also analyzed; the average electron-hole distance within the CTS and its dependence on temperature were determined. This procedure can be useful for tracing small changes in CTS structure during optimization of the donor–acceptor composite morphology, which is tightly related to the photovoltaic efficiency of the composite.
AB - Photoinduced charge separation at donor–acceptor composites (active layer material of organic solar cells) is an important step of photoelectric energy conversion. It results in the formation of the interfacial charge-transfer state (CTS), which is a Coulombically bound electron-hole pair. We developed the mathematical procedure of direct quantification of the electron-hole distance on the basis of time-domain pulse electron paramagnetic resonance data, obtained in an electron spin echo (ESE) experiment. For an ensemble of CTSs characterized by a distribution of electron-hole distances, this procedure derives the average electron-hole distance without numerical simulation of the experimental data, which is a superposition of the oscillating functions, corresponding to CTSs with a certain electron-hole distance. This procedure was tested on model distance distributions, yielding very accurate results. The data for highly efficient organic photovoltaic composite PM6/Y6 were also analyzed; the average electron-hole distance within the CTS and its dependence on temperature were determined. This procedure can be useful for tracing small changes in CTS structure during optimization of the donor–acceptor composite morphology, which is tightly related to the photovoltaic efficiency of the composite.
KW - EPR spectroscopy
KW - charge generation
KW - electron spin echo
KW - magnetic dipolar interaction
KW - numerical modeling
KW - organic photovoltaics
UR - https://www.mendeley.com/catalogue/c56b41d3-b186-3f56-991a-c98c9e3be43e/
UR - https://www.scopus.com/record/display.uri?eid=2-s2.0-85218677936&origin=inward&txGid=c4109150056745275a50b5491e8c033f
U2 - 10.3390/jcs9020051
DO - 10.3390/jcs9020051
M3 - Article
VL - 9
JO - Journal of Composites Science
JF - Journal of Composites Science
SN - 2504-477X
IS - 2
M1 - 51
ER -
ID: 64919444