-
1
-
-
35148892312
-
Polymer-based solar cells
-
DOI 10.1016/S1369-7021(07)70276-6, PII S1369702107702766
-
A. C. Mayer, Mater. Today 1369-7021 10.1016/S1369-7021(07)70276-6 10, 28 (2007). (Pubitemid 47552905)
-
(2007)
Materials Today
, vol.10
, Issue.11
, pp. 28-33
-
-
Mayer, A.C.1
Scully, S.R.2
Hardin, B.E.3
Rowell, M.W.4
McGehee, M.D.5
-
2
-
-
1442357770
-
-
edited by C. Brabec, V. Dyakonov, J. Parisi, and N. S. Sariciftci (Springer, New York
-
Organic Photovoltaics: Concepts and Realization, Springer Series in Material Science, edited by, C. Brabec, V. Dyakonov, J. Parisi, and, N. S. Sariciftci, (Springer, New York, 2003).
-
(2003)
Organic Photovoltaics: Concepts and Realization
-
-
-
3
-
-
24344458529
-
High-efficiency photovoltaic devices based on annealed poly(3-hexylthiophene) and 1-(3-methoxycarbonyl)-propyl-1- phenyl- (6,6) C61 blends
-
DOI 10.1063/1.2006986, 083506
-
M. Reyes-Reyes, K. Kim, and D. Carroll, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2006986 87, 083506 (2005). (Pubitemid 41247089)
-
(2005)
Applied Physics Letters
, vol.87
, Issue.8
, pp. 1-3
-
-
Reyes-Reyes, M.1
Kim, K.2
Carroll, D.L.3
-
4
-
-
77956953042
-
-
ADVMEW 0935-9648 10.1002/adma.200903697
-
C. J. Brabec, Adv. Mater. (Weinheim, Ger.) ADVMEW 0935-9648 10.1002/adma.200903697 22, 3839 (2010).
-
(2010)
Adv. Mater. (Weinheim, Ger.)
, vol.22
, pp. 3839
-
-
Brabec, C.J.1
-
5
-
-
33645392241
-
-
ADVMEW 0935-9648 10.1002/adma.200501717
-
M. C. Scharber, Adv. Mater. (Weinheim, Ger.) ADVMEW 0935-9648 10.1002/adma.200501717 18, 789 (2006).
-
(2006)
Adv. Mater. (Weinheim, Ger.)
, vol.18
, pp. 789
-
-
Scharber, M.C.1
-
6
-
-
33847797254
-
-
ADVMEW 1523-7060 10.1021/ol062666p
-
F. B. Kooistra, Org. Lett. ADVMEW 1523-7060 10.1021/ol062666p 9, 551-554 (2007).
-
(2007)
Org. Lett.
, vol.9
, pp. 551-554
-
-
Kooistra, F.B.1
-
7
-
-
67649207662
-
-
ADVMEW 1749-4885 10.1038/nphoton.2009.69
-
S. Park, Nat. Photonics ADVMEW 1749-4885 10.1038/nphoton.2009.69 3, 297 (2009).
-
(2009)
Nat. Photonics
, vol.3
, pp. 297
-
-
Park, S.1
-
8
-
-
70350774564
-
-
ADVMEW 1749-4885 10.1038/nphoton.2009.192
-
H-Y. Chen, Nat. Photonics ADVMEW 1749-4885 10.1038/nphoton.2009.192 3, 649 (2009).
-
(2009)
Nat. Photonics
, vol.3
, pp. 649
-
-
Chen, H.-Y.1
-
9
-
-
40849087993
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.77.085311
-
R. Schueppel, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.77.085311 77, 085311 (2008).
-
(2008)
Phys. Rev. B
, vol.77
, pp. 085311
-
-
Schueppel, R.1
-
10
-
-
55849108466
-
-
ADVMEW 1616-301X 10.1002/adfm.200800366
-
F. Lincker, Adv. Funct. Mater. ADVMEW 1616-301X 10.1002/adfm.200800366 18, 3444 (2008).
-
(2008)
Adv. Funct. Mater.
, vol.18
, pp. 3444
-
-
Lincker, F.1
-
11
-
-
34250817103
-
-
JCPSA6 0021-9606 10.1063/1.464304
-
A. D. Becke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.464304 98, 1372 (1993).
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 1372
-
-
Becke, A.D.1
-
13
-
-
36149016819
-
-
PHRVAO 0031-899X 10.1103/PhysRev.139.A796
-
L. Hedin, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.139.A796 139, A796 (1965).
-
(1965)
Phys. Rev.
, vol.139
, pp. 796
-
-
Hedin, L.1
-
16
-
-
25544479230
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.34.5390
-
M. S. Hybertsen and S. G. Louie, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.34.5390 34, 5390 (1986).
-
(1986)
Phys. Rev. B
, vol.34
, pp. 5390
-
-
Hybertsen, M.S.1
Louie, S.G.2
-
17
-
-
33748908357
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.37.10159
-
R. W. Godby, M. Schlüter, and L. J. Sham, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.37.10159 37, 10159 (1988).
-
(1988)
Phys. Rev. B
, vol.37
, pp. 10159
-
-
Godby, R.W.1
Schlüter, M.2
Sham, L.J.3
-
18
-
-
0036057017
-
-
RMPHAT 0034-6861 10.1103/RevModPhys.74.601
-
G. Onida, L. Reining, and A. Rubio, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.74.601 74, 601 (2002).
-
(2002)
Rev. Mod. Phys.
, vol.74
, pp. 601
-
-
Onida, G.1
Reining, L.2
Rubio, A.3
-
19
-
-
0012050648
-
-
in edited by H. Ehrenreich (Academic, Orlando
-
W. G. Aulbur, L. Jonsson, and J. W. Wilkins, in Solid State Physics, edited by, H. Ehrenreich, (Academic, Orlando, 1999), Vol. 54, p. 1.
-
(1999)
Solid State Physics
, pp. 1
-
-
Aulbur, W.G.1
Jonsson, L.2
Wilkins, J.W.3
-
21
-
-
0043141866
-
-
PHRVAO 0031-899X 10.1103/PhysRev.115.1342
-
P. C. Martin and J. Schwinger, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.115.1342 115, 1342 (1959).
-
(1959)
Phys. Rev.
, vol.115
, pp. 1342
-
-
Martin, P.C.1
Schwinger, J.2
-
22
-
-
33646855619
-
Valence electronic structure of gas-phase 3,4,9,10-perylene tetracarboxylic acid dianhydride: Experiment and theory
-
DOI 10.1103/PhysRevB.73.195208
-
N. Dori, M. Menon, L. Kilian, M. Sokolowski, L. Kronik, and E. Umbach, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.73.195208 73, 195208 (2006). (Pubitemid 43782086)
-
(2006)
Physical Review B - Condensed Matter and Materials Physics
, vol.73
, Issue.19
, pp. 195208
-
-
Dori, N.1
Menon, M.2
Kilian, L.3
Sokolowski, M.4
Kronik, L.5
Umbach, E.6
-
23
-
-
50849113774
-
-
JCPSA6 0021-9606 10.1063/1.2973627
-
M. L. Tiago, P. R. C. Kent, R. Q. Hood, and F. A. Reboredo, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2973627 129, 084311 (2008).
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 084311
-
-
Tiago, M.L.1
Kent, P.R.C.2
Hood, R.Q.3
Reboredo, F.A.4
-
24
-
-
69549086153
-
-
JCPSA6 0021-9606 10.1063/1.3204938
-
M. Palummo, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3204938 131, 084102 (2009).
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 084102
-
-
Palummo, M.1
-
25
-
-
66749165989
-
-
JCPSA6 1098-0121 10.1103/PhysRevB.79.201104
-
P. Umari, G. Stenuit, and S. Baroni, Phys. Rev. B JCPSA6 1098-0121 10.1103/PhysRevB.79.201104 79, 201104 (R) (2009).
-
(2009)
Phys. Rev. B
, vol.79
, pp. 201104
-
-
Umari, P.1
Stenuit, G.2
Baroni, S.3
-
26
-
-
77954754222
-
-
JCPSA6 1098-0121 10.1103/PhysRevB.80.241405
-
Y. Ma, M. Rohlfing, and C. Molteni, Phys. Rev. B JCPSA6 1098-0121 10.1103/PhysRevB.80.241405 80, 241405 (R) (2009).
-
(2009)
Phys. Rev. B
, vol.80
, pp. 241405
-
-
Ma, Y.1
Rohlfing, M.2
Molteni, C.3
-
27
-
-
77956330698
-
-
PPCPFQ 1463-9076 10.1039/c004332j
-
G. Stenuit, C. Castellarin-Cudia, O. Plekan, and V. Feyer, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/c004332j 12, 10812 (2010).
-
(2010)
Phys. Chem. Chem. Phys.
, vol.12
, pp. 10812
-
-
Stenuit, G.1
Castellarin-Cudia, C.2
Plekan, O.3
Feyer, V.4
-
28
-
-
77953140592
-
-
ADVMEW 0935-9648 10.1002/adma.200904407
-
O. Inganäs, Adv. Mater. (Weinheim, Ger.) ADVMEW 0935-9648 10.1002/adma.200904407 22, E100 (2010).
-
(2010)
Adv. Mater. (Weinheim, Ger.)
, vol.22
, pp. 100
-
-
Inganäs, O.1
-
29
-
-
1842531892
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.69.085111
-
X. Blase and P. Ordejón, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.69.085111 69, 085111 (2004).
-
(2004)
Phys. Rev. B
, vol.69
, pp. 085111
-
-
Blase, X.1
Ordejón, P.2
-
30
-
-
0031584630
-
-
CHPLBC 0009-2614 10.1016/S0009-2614(96)01343-7
-
R. Bauernschmitt, Marco Häser, Oliver Treutler, and Reinhart Ahlrichs, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(96)01343-7 264, 573 (1997).
-
(1997)
Chem. Phys. Lett.
, vol.264
, pp. 573
-
-
Bauernschmitt, R.1
Häser, M.2
Treutler, O.3
Ahlrichs, R.4
-
31
-
-
25944447786
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.52.1905
-
Michael Rohlfing, Peter Krüger, and Johannes Pollmann, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.52.1905 52, 1905 (1995).
-
(1995)
Phys. Rev. B
, vol.52
, pp. 1905
-
-
Rohlfing, M.1
Krüger, P.2
Pollmann, J.3
-
32
-
-
79961093040
-
-
in edited by N. H. March (World Scientific, Singapore
-
B. Farid, in Electron Correlation in the Solid State, edited by, N. H. March, (World Scientific, Singapore, 1999), p. 217, and references therein.
-
(1999)
Electron Correlation in the Solid State
, pp. 217
-
-
Farid, B.1
-
33
-
-
0037171091
-
The SIESTA method for ab initio order-N materials simulation
-
DOI 10.1088/0953-8984/14/11/302, PII S0953898402307379
-
José M. Soler, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/11/302 14, 2745 (2002). (Pubitemid 34288362)
-
(2002)
Journal of Physics Condensed Matter
, vol.14
, Issue.11
, pp. 2745-2779
-
-
Soler, J.M.1
Artacho, E.2
Gale, J.D.3
Garcia, A.4
Junquera, J.5
Ordejon, P.6
Sanchez-Portal, D.7
-
34
-
-
77955066210
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.81.115433
-
M. S. Kaczmarski, Y. C. Ma, and M. Rohlfing, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.81.115433 81, 115433 (2010).
-
(2010)
Phys. Rev. B
, vol.81
, pp. 115433
-
-
Kaczmarski, M.S.1
Ma, Y.C.2
Rohlfing, M.3
-
35
-
-
50449089375
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.78.085125
-
F. Bruneval and X. Gonze, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.78.085125 78, 085125 (2008).
-
(2008)
Phys. Rev. B
, vol.78
, pp. 085125
-
-
Bruneval, F.1
Gonze, X.2
-
36
-
-
77954984623
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.81.115105
-
F. Giustino, M. L. Cohen, and S. G. Louie, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.81.115105 81, 115105 (2010).
-
(2010)
Phys. Rev. B
, vol.81
, pp. 115105
-
-
Giustino, F.1
Cohen, M.L.2
Louie, S.G.3
-
37
-
-
77956689506
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.82.041103
-
J. A. Berger, L. Reining, and F. Sottile, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.82.041103 82, 041103 (2010).
-
(2010)
Phys. Rev. B
, vol.82
, pp. 041103
-
-
Berger, J.A.1
Reining, L.2
Sottile, F.3
-
38
-
-
68249103796
-
-
JCPSA6 0021-9606 10.1063/1.3179755
-
D. Foerster and P. Koval, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3179755 131, 044103 (2009).
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 044103
-
-
Foerster, D.1
Koval, P.2
-
39
-
-
33646916280
-
-
For example, see, THEODJ 0166-1280 10.1016/j.theochem.2005.07.034
-
For example, see A. Ipatov, THEOCHEM THEODJ 0166-1280 10.1016/j.theochem.2005.07.034 762, 179 (2006).
-
(2006)
THEOCHEM THEODJ
, vol.762
, pp. 179
-
-
Ipatov, A.1
-
40
-
-
0002786045
-
-
JCPSA6 0021-9606 10.1063/1.1733984
-
C. M. Reeves and M. C. Harrison, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1733984 39, 11 (1963).
-
(1963)
J. Chem. Phys.
, vol.39
, pp. 11
-
-
Reeves, C.M.1
Harrison, M.C.2
-
41
-
-
0011962409
-
-
in Wiley, New York
-
K. Ruedenberg, R. C. Raffenetti, and R. D. Bardo, in Energy, Structure and Reactivity, proceedings of the 1972 Boulder Conference on Theoretical Chemistry (Wiley, New York, 1973).
-
(1973)
Energy, Structure and Reactivity
-
-
Ruedenberg, K.1
Raffenetti, R.C.2
Bardo, R.D.3
-
42
-
-
70349115934
-
-
For a recent analysis, see, IJQCB2 0020-7608 10.1002/qua.22090
-
For a recent analysis, see I. Cherkes, S. Klaiman, and N. Miseyev, Int. J. Quantum Chem. IJQCB2 0020-7608 10.1002/qua.22090 109, 2996 (2009).
-
(2009)
Int. J. Quantum Chem.
, vol.109
, pp. 2996
-
-
Cherkes, I.1
Klaiman, S.2
Miseyev, N.3
-
43
-
-
0001465957
-
-
IJQCB2 1098-0121 10.1103/PhysRevB.49.16214
-
F. Aryasetiawan and O. Gunnarsson, Phys. Rev. B IJQCB2 1098-0121 10.1103/PhysRevB.49.16214 49, 16214 (1994).
-
(1994)
Phys. Rev. B
, vol.49
, pp. 16214
-
-
Aryasetiawan, F.1
Gunnarsson, O.2
-
44
-
-
0003498504
-
-
in edited by A. Jeffrey and D. Zwillinger, 7th ed. (Academic, New York
-
I. S. Gradshteyn and I. M. Ryzhik, in Tables of Integrals, Series and Products, edited by, A. Jeffrey, and, D. Zwillinger, 7th ed. (Academic, New York, 2007).
-
(2007)
Tables of Integrals, Series and Products
-
-
Gradshteyn, I.S.1
Ryzhik, I.M.2
-
45
-
-
0004161838
-
-
Cambridge University Press, New York
-
W. H. Press, S. A. Teukolsky, W. T. Vetterling, and B. P. Flannery, Numerical Recipes in Fortran, 2nd ed. (Cambridge University Press, New York, 1996), p. 252.
-
(1996)
Numerical Recipes in Fortran
, pp. 252
-
-
Press, W.H.1
Teukolsky, S.A.2
Vetterling, W.T.3
Flannery, B.P.4
-
46
-
-
79961036210
-
-
Most of the experimental data are taken from the NIST chemistry webbook at [http://webbook.nist.gov/chemistry/]. The band gaps are calculated as the difference of the experimental ionization energy and electronic affinity. We adopt the most recent experimental data. The provided ionization energies are the vertical ones.
-
-
-
-
47
-
-
0000250178
-
-
JCPSA6 0021-9606 10.1063/1.437867
-
J. Berkowitz, J. Chem. Phys JCPSA6 0021-9606 10.1063/1.437867 70, 2819 (1979). Previously calculated values using Δ SCF and transition state (TS) techniques yield 6.52 and 6.55 eV, respectively. See
-
(1979)
J. Chem. Phys
, vol.70
, pp. 2819
-
-
Berkowitz, J.1
-
48
-
-
0035827171
-
Electronic structure and bonding in metal phthalocyanines, metal=Fe, Co, Ni, Cu, Zn, Mg
-
DOI 10.1063/1.1367374
-
M.-S. Liao and S. Scheiner, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1367374 114, 9780 (2001). (Pubitemid 32585979)
-
(2001)
Journal of Chemical Physics
, vol.114
, Issue.22
, pp. 9780-9791
-
-
Liao, M.-S.1
Scheiner, S.2
-
49
-
-
75949096644
-
-
JMOSB4 0022-2860 10.1016/j.molstruc.2009.12.013
-
T. Pasinzki, M. Krebsz, and G. Vass, J. Mol. Struct. JMOSB4 0022-2860 10.1016/j.molstruc.2009.12.013 966, 85 (2009).
-
(2009)
J. Mol. Struct.
, vol.966
, pp. 85
-
-
Pasinzki, T.1
Krebsz, M.2
Vass, G.3
-
52
-
-
77954873662
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.81.085102
-
K. Kaasbjerg and K. S. Thygesen, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.81.085102 81, 085102 (2010).
-
(2010)
Phys. Rev. B
, vol.81
, pp. 085102
-
-
Kaasbjerg, K.1
Thygesen, K.S.2
-
53
-
-
33344459307
-
Quasiparticle energies for large molecules: A tight-binding-based Green's-function approach
-
DOI 10.1103/PhysRevA.71.022508
-
T. A. Niehaus, M. Rohlfing, F. Della Sala, A. Di Carlo, and Th. Frauenheim, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.71.022508 71, 022508 (2005). (Pubitemid 43286529)
-
(2005)
Physical Review A - Atomic, Molecular, and Optical Physics
, vol.71
, Issue.2
, pp. 022508
-
-
Niehaus, T.A.1
Rohlfing, M.2
Della Sala, F.3
Di Carlo, A.4
Frauenheim, Th.5
-
54
-
-
33748077765
-
A density functional theory study on the effect of shape and size on the ionization potential and electron affinity of different carbon nanostructures
-
DOI 10.1016/j.cplett.2006.06.108, PII S0009261406009730
-
M. K. Shukla and J. Leszczynski, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/j.cplett.2006.06.108 428, 317 (2006). (Pubitemid 44301059)
-
(2006)
Chemical Physics Letters
, vol.428
, Issue.4-6
, pp. 317-320
-
-
Shukla, M.K.1
Leszczynski, J.2
-
57
-
-
70349568754
-
-
JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502
-
P. Giannozzi, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502 21, 395502 (2009).
-
(2009)
J. Phys. Condens. Matter
, vol.21
, pp. 395502
-
-
Giannozzi, P.1
-
58
-
-
67650964169
-
-
CPHCBZ 0010-4655 10.1016/j.cpc.2009.02.003
-
A. Marini, C. Hogan, M. Grüning, and D. Varsano, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/j.cpc.2009.02.003 180, 1392 (2009).
-
(2009)
Comput. Phys. Commun.
, vol.180
, pp. 1392
-
-
Marini, A.1
Hogan, C.2
Grüning, M.3
Varsano, D.4
-
59
-
-
33644525957
-
Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics
-
DOI 10.1103/PhysRevB.72.245425
-
P. H. Hahn, W. G. Schmidt, and F. Bechstedt, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.72.245425 72, 245425 (2005). (Pubitemid 43292176)
-
(2005)
Physical Review B - Condensed Matter and Materials Physics
, vol.72
, Issue.24
, pp. 245425
-
-
Hahn, P.H.1
Schmidt, W.G.2
Bechstedt, F.3
|