Organic semiconductors (cif file)

References

[1] CIF Files for Several Organic Semiconductors (http://emfr.riken.jp/member/cif.html)

• BTBT (Acc. Chem, Res. 2014, 47, 1493)
• C8-BTBT (Adv. Mater. 2008, 20, 3388)
• C10-BTBT(Adv. Mater. 2008, 20, 3388)
• C12-BTBT (JACS, 2007, 129, 15732)
• DPh-BTBT (JACS, 2011, 133, 5024)
• DNTT (JACS, 2007, 129, 2224)
• 2,9-C10-DNTT (Adv. Mater. 2011, 23, 1222; Adv. Mater. 2011, 23, 1626)
• 3,10-C10DNTT (ACS, Appl. Mater. Interfaces, 2013, 5, 2331)
• 2,9-DPhDNTTI (ACS, Appl. Mater. Interfaces, 2013, 5, 2331)
• 3,10-DPhDNTT (ACS, Appl. Mater. Interfaces, 2013, 5, 2331)
• DNTT isomers (BCSJ, 2010, 73, 120)
• DATT (JACS, 2011, 133, 8732)
• BBTNDT (JACS, 2013, 135, 13900)
• NDT3 derivtives (JOC, 2010, 75, 1228)
• DPh-NDT1 (JACS, 2011, 133, 5024)
• C8-NDTI (JACS, 2013, 135, 11445) (no-data)

[2] http://www.op.titech.ac.jp/lab/mori/CIF

[3] CCDC (Cambridge Crystallographic Data Centre)

[4] COD (Crystallography Open Database)

[5] S. R. Hall, F. H. Allen and I. D. Brown, Acta Cryst. (1991), A47, 655-685. [6] Y. Takahashi et al., Chem. Mater., 2007, 19 (26), pp 6382?6384. (https://pubs.acs.org/doi/full/10.1021/cm702690w?mobileUi=0)

[7] University of Liverpool (http://www.chemtube3d.com/polymer/_polythiopheneF.html)

[8] X. Zhang et al., J. Am. Chem. Soc., 2005, 127 (30), pp 10502?10503. (https://pubs.acs.org/doi/10.1021/ja053326m)

[9] Y. Kiyota et al., J. Am. Chem. Soc., 2016, 138 (11), pp 3920?3925. (https://pubs.acs.org/doi/full/10.1021/jacs.6b01213?src=recsys)

[10] K. Iijima et al., ACS Appl. Mater. Interfaces, 2018, 10 (12), pp 10262?10269. (https://pubs.acs.org/doi/full/10.1021/acsami.8b00416?src=recsys)

Mobility [M1-M9]

a-Si:H: ca.10^0 cm^2/Vs
Rubrene crystal: 40 cm^2/Vs
Pentacene film: 5 cm^2/Vs
TIPS-Pentacene (solution): 1.5 cm^2/Vs
Polythiophene (solution): 0.6 cm^2/Vs
P3HT: 0.1 cm^2/Vs
[M1] T. Mori, J. Phys. Cond. Matter. 20 (2008) 184010.
[M2] A. R. Murphy and J. M. J. Frechet, Chem. Rev. 107 (2007) 1066.

DBTTF film: 0.19 cm^2/Vs (Vth: 9 V)
[M3] Nagakubo, Phys. Chem. Chem. Phys., 13 (2011) 14370.

HMTTF film: 3.6 cm^2/Vs (Vth: 27V)
[M4] Takahashi, Chem. Mater., 19 (2007)6382.

OMTTF film: 4.2*10^-4 cm^2/Vs (Vth: 5 V)
OMTTF film: 0.11 cm^2/Vs (Vth: 0.7 V)
[M5] Inoue, Chem. Lett., 39 (2010) 538.

DNTT: 8.3 cm^2/Vs
[M6] APL95(2009)022111.

C8-BTBT (solution): 5 cm^2/Vs
[M7] APE2(2009)111501.

CDT-BTZ (solution): 1.4 cm^2/Vs
[M8] AM21(2009)209.

PB16TTT (solution): 1 cm^2/Vs
[M9] JAP105(2009)024516.

Bandwidth [B1]

Pentacene: 188 meV
Perfluoropentacene (For LIMO): 512 meV
Picene: 266 meV
Sexithiophene (6T)/LT: 76 meV
Sexithiophene (6T)/HT: 200 meV
Pentathienoacene (f-5T): 76 meV
theta-(BEDT-TTF)2TlCo(SCN)4: 940 meV
DBTTF/alpha-phase: 212 meV
DBTTF/beta-phase: 66 meV
DBTTF/triclinic phase: 178 meV
C12-BTBT: 296 meV
DPh-BTBT: 660 meV
[B1] H. Kojima and T. Mori. Bull. Chem. Soc. Jpn., 84 (2011) 1049.