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 - 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
UR - http://www.scopus.com/inward/record.url?scp=85065750144&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85065750144&partnerID=8YFLogxK
U2 - 10.1002/adts.201800016
DO - 10.1002/adts.201800016
M3 - Article
AN - SCOPUS:85065750144
SN - 2513-0390
VL - 1
JO - Advanced Theory and Simulations
JF - Advanced Theory and Simulations
IS - 7
M1 - 1800016
ER -