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A molecular interaction-diffusion framework for predicting organic solar cell stability

delete2021-01-11
delete268
PRE
AI
M
Masoud Ghasemi
N
Nrup Balar
P
Peng, Zhengxing
胡华伟 cover
胡华伟 (Huawei Hu)
Y
Yunpeng Qin
K
Kim, Taesoo
J
Jeromy James Rech
M
Matthew Bidwell
W
Walker Mask
I
Iain McCulloch
尤伟 (Wei You)
A
Aram Amassian
C
Chad Risko
B
Brendan O’Connor *
H
Harald Ade *
DOI:10.1038/s41563-020-00872-6delete
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Abstract

Abstract

En 中文
Rapid increase in the power conversion efficiency of organic solar cells (OSCs) has been achieved with the development of non-fullerene small-molecule acceptors (NF-SMAs). Although the morphological stability of these NF-SMA devices critically affects their intrinsic lifetime, their fundamental intermolecular interactions and how they govern property-function relations and morphological stability of OSCs remain elusive. Here, we discover that the diffusion of an NF-SMA into the donor polymer exhibits Arrhenius behaviour and that the activation energy E-a scales linearly with the enthalpic interaction parameters chi(H) between the polymer and the NF-SMA. Consequently, the thermodynamically most unstable, hypo-miscible systems (high chi) are the most kinetically stabilized. We relate the differences in E-a to measured and selectively simulated molecular self-interaction properties of the constituent materials and develop quantitative property-function relations that link thermal and mechanical characteristics of the NF-SMA and polymer to predict relative diffusion properties and thus morphological stability.
Keywords:
POLYMER
MISCIBILITY
ENERGY
PERFORMANCE
TEMPERATURE
DEPENDENCE
EFFICIENCY
MODULUS
VALUES
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Journal

Nature Materials cover
Nature Materials
IF:
38.5
Papers:
6.8K
Citations:
11.5W

Organization

U
university of north carolina
Scholars:
7.4W
Papers: 6.5W
Citations: 93
I
Imperial College London
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8.3W
Papers: 7.3W
Citations: 11.1W
U
University of North Carolina Chapel Hill
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3.9W
Papers: 3.1W
Citations: 46
N
North Carolina State University
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2.6W
Papers: 2.3W
Citations: 3.7W
U
University of Kentucky
Scholars:
2.5W
Papers: 2.1W
Citations: 41
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