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115. May F, Marcon V, Hansen MR, Grozema F, Andrienko D (2011) J Mater Chem 21(26):9538
116. Schrader M, Fitzner R, Hein M, Elschner C, Baumeier B, Leo K, Riede M, Ba ¨uerle P,
Andrienko D (2012) J Am Chem Soc 134(13):6052
117. Schrader M, Ko ¨rner C, Elschner C, Andrienko D (2012) J Mater Chem 22(41):22258
118. Mas-Torrent M, Boer DD, Durkut M, Hadley P, Schenning APHJ (2004) Nanotechnology 15
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119. Poelking C, Ivanov V, Kremer K, Risko C, Bre ´das JL, Andrienko D, Eunkyung C (2013)
J Phys Chem C 117(4):1633
120. Olivier Y, Muccioli L, Lemaur V, Geerts YH, Zannoni C, Cornil J (2009) J Phys Chem B 113
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121. De Leener C, Hennebicq E, Sancho-Garcia JC, Beljonne D (2009) J Phys Chem B 113
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122. DuBay KH, Hall ML, Hughes TF, Wu C, Reichman DR, Friesner RA (2012) J Chem Theory
Comput 8(11):4556
123. Kumar P, Mehta A, Mahurin SM, Dai S, Dadmun MD, Sumpter BG, Barnes MD (2004)
Macromolecules 37(16):6132
124. Collini E, Scholes GD (2009) Science 323(5912):369, PMID: 19150843
125. Salleo A, Kline RJ, DeLongchamp DM, Chabinyc ML (2010) Adv Mater 22(34):3812–3838
126. Beljonne D, Cornil J, Sirringhaus H, Brown PJ, Shkunov M, Friend RH, Bre ´das JL (2001)
Adv Funct Mater 11(3):229–234
127. Brown PJ, Sirringhaus H, Harrison M, Shkunov M, Friend RH (2001) Phys Rev B 63
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128. Magin EH, Borsenberger PM (1993) J Appl Phys 73(2):787
129. Van der Auweraer M, De Schryver FC, Borsenberger PM, Ba ¨ssler H (1994) Adv Mater 6
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130. Zade SS, Zamoshchik N, Bendikov M (2011) Accounts Chem Res 44(1):14
131. Nayyar IH, Batista ER, Tretiak S, Saxena A, Smith DL, Martin RL (2013) J Chem Theory
Comput 9(2):1144
132. Bronstein H, Chen Z, Ashraf RS, Zhang W, Du J, Durrant JR, Shakya Tuladhar P, Song K,
Watkins SE, Geerts Y, Wienk MM, Janssen RAJ, Anthopoulos T, Sirringhaus H, Heeney M,
McCul-loch I (2011) J Am Chem Soc 133(10):3272
133. Qin T, Troisi A (2013) J Am Chem Soc 135(30):11247
134. Shaked S, Tal S, Roichman Y, Razin A, Xiao S, Eichen Y, Tessler N (2003) Adv Mater 15
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135. Soler JM, Artacho E, Gale JD, Garcı ´a A, Junquera J, Ordejo ´n P, Sa ´nchez-Portal D (2002)
J Phys Condens Mat 14(11):2745
136. Skylaris CK, Haynes PD, Mostofi AA, Payne MC (2005) J Chem Phys 122(8):084119
137. Gordon MS, Mullin JM, Pruitt SR, Roskop LB, Slipchenko LV, Boatz JA (2009) J Phys
Chem B 113(29):9646
138. McMahon DP, Troisi A (2009) Chem Phys Lett 480(4–6):210
139. Vukmirovic ´ N, Wang LW (2009) J Phys Chem B 113(2):409
140. Vukmirovic ´ N, Wang LW (2009) Nano Lett 9(12):3996
141. Fedorov DG, Kitaura K (2007) J Phys Chem A 111(30):6904
142. Kitaura K, Ikeo E, Asada T, Nakano T, Uebayasi M (1999) Chem PhysLett 313(3–4):701
143. Kubar ˇ T, Elstner M (2013) J R Soc Interface 10(87):20130415, PMID: 23883952
144. Liu J, Sun Y, Gao X, Xing R, Zheng L, Wu S, Geng Y, Han Y (2011) Langmuir 27(7):4212
145. Porezag D, Frauenheim T, Ko ¨hler T, Seifert G, Kaschner R (1995) Phys Rev B 51(19):12947
146. Elstner M, Porezag D, Jungnickel G, Elsner J, Haugk M, Frauen-heim T, Suhai S, Seifert G
(1998) Phys Rev B 58(11):7260
147. Liu T, Troisi A (2014) Adv Funct Mater 24(7):925-933
Morphology and Charge Transport in P3HT: A Theorist’s Perspective
179
(5):830
114. Nelson J, Kwiatkowski JJ, Kirkpatrick J, Frost JM (2009) Accounts Chem Res 42(11):1768
115. May F, Marcon V, Hansen MR, Grozema F, Andrienko D (2011) J Mater Chem 21(26):9538
116. Schrader M, Fitzner R, Hein M, Elschner C, Baumeier B, Leo K, Riede M, Ba ¨uerle P,
Andrienko D (2012) J Am Chem Soc 134(13):6052
117. Schrader M, Ko ¨rner C, Elschner C, Andrienko D (2012) J Mater Chem 22(41):22258
118. Mas-Torrent M, Boer DD, Durkut M, Hadley P, Schenning APHJ (2004) Nanotechnology 15
(4):S265
119. Poelking C, Ivanov V, Kremer K, Risko C, Bre ´das JL, Andrienko D, Eunkyung C (2013)
J Phys Chem C 117(4):1633
120. Olivier Y, Muccioli L, Lemaur V, Geerts YH, Zannoni C, Cornil J (2009) J Phys Chem B 113
(43):14102
121. De Leener C, Hennebicq E, Sancho-Garcia JC, Beljonne D (2009) J Phys Chem B 113
(5):1311
122. DuBay KH, Hall ML, Hughes TF, Wu C, Reichman DR, Friesner RA (2012) J Chem Theory
Comput 8(11):4556
123. Kumar P, Mehta A, Mahurin SM, Dai S, Dadmun MD, Sumpter BG, Barnes MD (2004)
Macromolecules 37(16):6132
124. Collini E, Scholes GD (2009) Science 323(5912):369, PMID: 19150843
125. Salleo A, Kline RJ, DeLongchamp DM, Chabinyc ML (2010) Adv Mater 22(34):3812–3838
126. Beljonne D, Cornil J, Sirringhaus H, Brown PJ, Shkunov M, Friend RH, Bre ´das JL (2001)
Adv Funct Mater 11(3):229–234
127. Brown PJ, Sirringhaus H, Harrison M, Shkunov M, Friend RH (2001) Phys Rev B 63
(12):125204
128. Magin EH, Borsenberger PM (1993) J Appl Phys 73(2):787
129. Van der Auweraer M, De Schryver FC, Borsenberger PM, Ba ¨ssler H (1994) Adv Mater 6
(3):199–213
130. Zade SS, Zamoshchik N, Bendikov M (2011) Accounts Chem Res 44(1):14
131. Nayyar IH, Batista ER, Tretiak S, Saxena A, Smith DL, Martin RL (2013) J Chem Theory
Comput 9(2):1144
132. Bronstein H, Chen Z, Ashraf RS, Zhang W, Du J, Durrant JR, Shakya Tuladhar P, Song K,
Watkins SE, Geerts Y, Wienk MM, Janssen RAJ, Anthopoulos T, Sirringhaus H, Heeney M,
McCul-loch I (2011) J Am Chem Soc 133(10):3272
133. Qin T, Troisi A (2013) J Am Chem Soc 135(30):11247
134. Shaked S, Tal S, Roichman Y, Razin A, Xiao S, Eichen Y, Tessler N (2003) Adv Mater 15
(11):913–916
135. Soler JM, Artacho E, Gale JD, Garcı ´a A, Junquera J, Ordejo ´n P, Sa ´nchez-Portal D (2002)
J Phys Condens Mat 14(11):2745
136. Skylaris CK, Haynes PD, Mostofi AA, Payne MC (2005) J Chem Phys 122(8):084119
137. Gordon MS, Mullin JM, Pruitt SR, Roskop LB, Slipchenko LV, Boatz JA (2009) J Phys
Chem B 113(29):9646
138. McMahon DP, Troisi A (2009) Chem Phys Lett 480(4–6):210
139. Vukmirovic ´ N, Wang LW (2009) J Phys Chem B 113(2):409
140. Vukmirovic ´ N, Wang LW (2009) Nano Lett 9(12):3996
141. Fedorov DG, Kitaura K (2007) J Phys Chem A 111(30):6904
142. Kitaura K, Ikeo E, Asada T, Nakano T, Uebayasi M (1999) Chem PhysLett 313(3–4):701
143. Kubar ˇ T, Elstner M (2013) J R Soc Interface 10(87):20130415, PMID: 23883952
144. Liu J, Sun Y, Gao X, Xing R, Zheng L, Wu S, Geng Y, Han Y (2011) Langmuir 27(7):4212
145. Porezag D, Frauenheim T, Ko ¨hler T, Seifert G, Kaschner R (1995) Phys Rev B 51(19):12947
146. Elstner M, Porezag D, Jungnickel G, Elsner J, Haugk M, Frauen-heim T, Suhai S, Seifert G
(1998) Phys Rev B 58(11):7260
147. Liu T, Troisi A (2014) Adv Funct Mater 24(7):925-933
Morphology and Charge Transport in P3HT: A Theorist’s Perspective
179