TY - JOUR
T1 - Why Can High Charge-Carrier Mobilities be Achieved Along π-Conjugated Polymer Chains with Alternating Donor–Acceptor Moieties?
AU - Brédas, Jean Luc
AU - Li, Yuan
AU - Sun, Haitao
AU - Zhong, Cheng
N1 - Funding Information:
We dedicate this work to Professor Alan Heeger, whose seminal investigations defined the field of organic electronics over the past 45 years and whose intellectual curiosity is at the origin of the question posed in the title of this manuscript. The work at the Georgia Institute of Technology has been supported by the Office of Naval Research (ONR) under Award No. N00014‐17‐1‐2208.
Publisher Copyright:
© 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
PY - 2018/7/1
Y1 - 2018/7/1
N2 - Impressive charge-carrier mobilities have been measured over the past few years for a number of well-oriented π-conjugated polymer chains. Intriguingly, these polymers frequently have complex chemical structures consisting of repeat units with alternating electron-rich and electron-poor moieties. A priori, such structures do not lend themselves to the presence of strongly dispersive valence or conduction electronic bands, which are required to achieve small charge-carrier effective masses. Here, the factors that can lead to high carrier mobilities in the tens or even hundreds of square centimeter per volt per second are described briefly.
AB - Impressive charge-carrier mobilities have been measured over the past few years for a number of well-oriented π-conjugated polymer chains. Intriguingly, these polymers frequently have complex chemical structures consisting of repeat units with alternating electron-rich and electron-poor moieties. A priori, such structures do not lend themselves to the presence of strongly dispersive valence or conduction electronic bands, which are required to achieve small charge-carrier effective masses. Here, the factors that can lead to high carrier mobilities in the tens or even hundreds of square centimeter per volt per second are described briefly.
KW - density functional theory (DFT)
KW - high charge-carrier mobilities
KW - π-conjugated polymer chains
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U2 - 10.1002/adts.201800016
DO - 10.1002/adts.201800016
M3 - Article
AN - SCOPUS:85065750144
VL - 1
JO - Advanced Theory and Simulations
JF - Advanced Theory and Simulations
SN - 2513-0390
IS - 7
M1 - 1800016
ER -