Impact of Fluoroalkylation on the n-Type Charge Transport of Two Naphthodithiophene Diimide Derivatives.
DFT
charge mobility anisotropy
charge transfer
charge transport
dynamic disorder
electron-phonon coupling
n-type
organic crystals
organic semiconductors
quantum chemistry
Journal
Molecules (Basel, Switzerland)
ISSN: 1420-3049
Titre abrégé: Molecules
Pays: Switzerland
ID NLM: 100964009
Informations de publication
Date de publication:
06 Jul 2021
06 Jul 2021
Historique:
received:
11
06
2021
revised:
03
07
2021
accepted:
04
07
2021
entrez:
24
7
2021
pubmed:
25
7
2021
medline:
25
7
2021
Statut:
epublish
Résumé
In this work, we investigate two recently synthesized naphthodithiophene diimide (NDTI) derivatives featuring promising n-type charge transport properties. We analyze the charge transport pathways and model charge mobility with the non-adiabatic hopping mechanism using the Marcus-Levich-Jortner rate constant formulation, highlighting the role of fluoroalkylated substitution in α (
Identifiants
pubmed: 34299394
pii: molecules26144119
doi: 10.3390/molecules26144119
pmc: PMC8307299
pii:
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Subventions
Organisme : Deutsche Forschungsgemeinschaft
ID : FA 1502/1-1
Références
Chem Commun (Camb). 2016 Dec 20;53(1):188-191
pubmed: 27917425
Acc Chem Res. 2009 Oct 20;42(10):1669-78
pubmed: 19645446
J Chem Theory Comput. 2018 Oct 9;14(10):5273-5289
pubmed: 30176213
Chem Rev. 2007 Apr;107(4):926-52
pubmed: 17378615
Chem Soc Rev. 2014 Apr 21;43(8):2662-79
pubmed: 24394992
J Am Chem Soc. 2009 Apr 22;131(15):5586-608
pubmed: 19331320
Chem Rev. 2004 Nov;104(11):4971-5004
pubmed: 15535639
Angew Chem Int Ed Engl. 2014 Jul 14;53(29):7428-48
pubmed: 24961807
Acc Chem Res. 2011 Jul 19;44(7):501-10
pubmed: 21615105
Phys Chem Chem Phys. 2014 Oct 21;16(39):21550-8
pubmed: 25188414
J Am Chem Soc. 2010 Mar 24;132(11):3697-9
pubmed: 20187650
Adv Mater. 2012 Jul 17;24(27):3678-84
pubmed: 22689261
Chem Rec. 2015 Feb;15(1):175-88
pubmed: 25346498
J Phys Chem B. 2010 Apr 29;114(16):5327-34
pubmed: 20373750
J Am Chem Soc. 2008 Sep 17;130(37):12377-84
pubmed: 18715006
Adv Mater. 2018 Jul 18;:e1801079
pubmed: 30022536
Phys Chem Chem Phys. 2010 Apr 7;12(13):3309-14
pubmed: 20237724
Phys Chem Chem Phys. 2019 Jan 23;21(4):2057-2068
pubmed: 30638227
Phys Chem Chem Phys. 2015 Jun 14;17(22):14342-54
pubmed: 25573447
J Chem Phys. 2016 Feb 7;144(5):054103
pubmed: 26851904
J Chem Phys. 2011 Aug 28;135(8):084701
pubmed: 21895208
Chem Soc Rev. 2011 May;40(5):2347-58
pubmed: 21409232
ACS Appl Mater Interfaces. 2014 Oct 22;6(20):18098-103
pubmed: 25248967
Sci Adv. 2020 May 01;6(18):eaaz0632
pubmed: 32494668
Nat Commun. 2019 Aug 26;10(1):3843
pubmed: 31451687
J Am Chem Soc. 2012 Mar 7;134(9):4084-7
pubmed: 22352880
J Am Chem Soc. 2009 May 13;131(18):6591-8
pubmed: 19374415
Phys Chem Chem Phys. 2017 May 31;19(21):13978-13993
pubmed: 28516987
Phys Rev Lett. 2006 Mar 3;96(8):086601
pubmed: 16606209
J Am Chem Soc. 2011 Nov 16;133(45):18054-7
pubmed: 21999401
J Phys Chem A. 2006 Mar 23;110(11):4065-70
pubmed: 16539430
J Chem Theory Comput. 2018 Jul 10;14(7):3752-3762
pubmed: 29851487
J Phys Chem A. 2006 May 18;110(19):6356-64
pubmed: 16686472
Adv Mater. 2020 Mar;32(10):e1905909
pubmed: 31965662
Adv Mater. 2019 Oct;31(43):e1902407
pubmed: 31512304
Adv Mater. 2019 Nov;31(45):e1804699
pubmed: 30300439
ACS Appl Mater Interfaces. 2020 May 20;12(20):23225-23235
pubmed: 32252522
Proc Natl Acad Sci U S A. 2005 Mar 8;102(10):3552-7
pubmed: 15738409
J Chem Phys. 2014 Mar 14;140(10):104105
pubmed: 24628150
Adv Mater. 2014 Feb 26;26(8):1254-60
pubmed: 24338981
Chem Rev. 2017 Aug 9;117(15):10319-10357
pubmed: 28644623
J Am Chem Soc. 2013 Aug 7;135(31):11445-8
pubmed: 23879366
J Chem Phys. 2008 Jan 21;128(3):034701
pubmed: 18205512
J Am Chem Soc. 2009 Jan 14;131(1):8-9
pubmed: 19090656
Chemphyschem. 2009 Sep 14;10(13):2265-73
pubmed: 19637205
J Am Chem Soc. 2010 Oct 20;132(41):14437-46
pubmed: 20866074
J Am Chem Soc. 2013 Feb 13;135(6):2338-49
pubmed: 23327415
Phys Chem Chem Phys. 2008 Oct 21;10(39):5941-52
pubmed: 18825280
Org Biomol Chem. 2012 Aug 28;10(32):6455-68
pubmed: 22782711
Adv Mater. 2016 Dec;28(48):10764-10771
pubmed: 27787927
Phys Chem Chem Phys. 2010 Sep 28;12(36):11103-13
pubmed: 20689881
ACS Appl Mater Interfaces. 2018 Sep 26;10(38):32444-32453
pubmed: 30168319
Nature. 2000 Mar 30;404(6777):478-81
pubmed: 10761911
Acc Chem Res. 2021 Feb 2;54(3):642-653
pubmed: 33289387
J Am Chem Soc. 2006 Aug 2;128(30):9882-6
pubmed: 16866546
Nat Commun. 2016 Mar 10;7:10908
pubmed: 26961271