SCOPUS 정보 검색 플랫폼

Volumn 132, Issue 3, 2010, Pages

A density functional theory and time-dependent density functional theory investigation on the anchor comparison of triarylamine-based dyes

(5) Peng, Bo a Yang, Siqi a Li, Lanlan a Cheng, Fangyi a Chen, Jun a

a NANKAI UNIVERSITY (China)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; ANCHOR GROUPS; BEFORE AND AFTER; DYE-SENSITIZED SOLAR CELL; GEOMETRY PROPERTIES; OPEN CIRCUIT POTENTIAL; ORGANIC DYE; PHOTOELECTROCHEMICAL PROPERTIES; RHODANINE; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TIME-DEPENDENT DFT; TIO; TRIARYLAMINES; TRIPHENYLAMINES; VACUUM ENERGY;

ACETIC ACID; CONVERSION EFFICIENCY; ELECTRON MOBILITY; ELECTRONIC STRUCTURE; ENERGY CONVERSION; SOLAR CELLS; SOLAR ENERGY; TITANIUM;

DENSITY FUNCTIONAL THEORY;

EID: 78651421557 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.3292639 Document Type: Article

Times cited : (80)

References (43)

1
- 0006483573
- 2 films
- DOI 10.1038/353737a0
- B. O'Regan and M. Grätzel, Nature (London) 0028-0836 353, 737 (1991). 10.1038/353737a0 (Pubitemid 21738149)
- (1991) Nature , vol.353 , Issue.6346 , pp. 737
- O'Regan, B.¹ Graetzel, M.²

2
- 2342455133
- 0897-4756,. 10.1021/cm0349708
- T. Kitamura, M. Ikeda, K. Shigaki, T. Inoue, N. A. Anderson, X. Ai, T. Q. Lian, and S. Yanagida, Chem. Mater. 0897-4756 16, 1806 (2004). 10.1021/cm0349708
- (2004) Chem. Mater. , vol.16 , pp. 1806
- Kitamura, T.¹ Ikeda, M.² Shigaki, K.³ Inoue, T.⁴ Anderson, N.A.⁵ Ai, X.⁶ Lian, T.Q.⁷ Yanagida, S.⁸

3
- 33744465236
- A novel organic chromophore for dye-sensitized nanostructured solar cells
- DOI 10.1039/b603002e
- D. P. Hagberg, T. Edvinsson, T. Marinado, G. Boschloo, A. Hagfeldt, and L. C. Sun, Chem. Commun. (Cambridge) 1359-7345 21, 2245 (2006). 10.1039/b603002e (Pubitemid 43800887)
- (2006) Chemical Communications , Issue.21 , pp. 2245-2247
- Hagberg, D.P.¹ Edvinsson, T.² Marinado, T.³ Boschloo, G.⁴ Hagfeldt, A.⁵ Sun, L.⁶

4
- 57449121558
- 1463-9076,. 10.1039/b812154k
- T. Marinado, D. P. Hagberg, M. Hedlund, T. Edvinsson, E. M. J. Johansson, G. Boschloo, H. Rensmo, T. Brinck, L. C. Sun, and A. Hagfeldt, Phys. Chem. Chem. Phys. 1463-9076 11, 133 (2009). 10.1039/b812154k
- (2009) Phys. Chem. Chem. Phys. , vol.11 , pp. 133
- Marinado, T.¹ Hagberg, D.P.² Hedlund, M.³ Edvinsson, T.⁴ Johansson, E.M.J.⁵ Boschloo, G.⁶ Rensmo, H.⁷ Brinck, T.⁸ Sun, L.C.⁹ Hagfeldt, A.¹⁰

5
- 34047244966
- New triphenylamine-based organic dyes for efficient dye-sensitized solar cells
- DOI 10.1021/jp067930a
- M. Liang, W. Xu, F. S. Cai, P. Q. Chen, B. Peng, J. Chen, and Z. M. Li, J. Phys. Chem. C 1932-7447 111, 4465 (2007). 10.1021/jp067930a (Pubitemid 46548860)
- (2007) Journal of Physical Chemistry C , vol.111 , Issue.11 , pp. 4465-4472
- Liang, M.¹ Xu, W.² Cai, F.³ Chen, P.⁴ Peng, B.⁵ Chen, J.⁶ Li, Z.⁷

6
- 38849172435
- New triphenylamine-based dyes for dye-sensitized solar cells
- DOI 10.1021/jp076992d
- W. Xu, B. Peng, J. Chen, M. Liang, and F. S. Cai, J. Phys. Chem. C 1932-7447 112, 874 (2008). 10.1021/jp076992d (Pubitemid 351206064)
- (2008) Journal of Physical Chemistry C , vol.112 , Issue.3 , pp. 874-880
- Xu, W.¹ Peng, B.² Chen, J.³ Liang, M.⁴ Cai, F.⁵

7
- 63049103117
- 1932-7447,. 10.1021/jp8101139
- J. Wiberg, T. Marinado, D. P. Hagberg, L. C. Sun, A. Hagfeldt, and B. Albinsson, J. Phys. Chem. C 1932-7447 113, 3881 (2009). 10.1021/jp8101139
- (2009) J. Phys. Chem. C , vol.113 , pp. 3881
- Wiberg, J.¹ Marinado, T.² Hagberg, D.P.³ Sun, L.C.⁴ Hagfeldt, A.⁵ Albinsson, B.⁶

8
- 33845932597
- Molecular engineering of organic sensitizers for solar cell applications
- DOI 10.1021/ja066376f
- S. Kim, J. K. Lee, S. O. Kang, J. Ko, J. -H. Yum, S. Fantacci, F. De Angelis, D. Di Censo, M. K. Nazeeruddin, and M. Grätzel, J. Am. Chem. Soc. 0002-7863 128, 16701 (2006). 10.1021/ja066376f (Pubitemid 46032749)
- (2006) Journal of the American Chemical Society , vol.128 , Issue.51 , pp. 16701-16707
- Kim, S.¹ Lee, J.K.² Kang, S.O.³ Ko, J.⁴ Yum, J.-H.⁵ Fantacci, S.⁶ De Angelis, F.⁷ Di Censo, D.⁸ Nazeeruddin, K.⁹ Gratzel, M.¹⁰

9
- 36849079856
- Tuning the HOMO and LUMO energy levels of organic chromophores for dye sensitized solar cells
- DOI 10.1021/jo701592x
- D. P. Hagberg, T. Marinado, K. M. Karlsson, K. Nonomura, P. Qin, G. Boschloo, T. Brinck, A. Hagfeldt, and L. Sun, J. Org. Chem. 0022-3263 72, 9550 (2007). 10.1021/jo701592x (Pubitemid 350231800)
- (2007) Journal of Organic Chemistry , vol.72 , Issue.25 , pp. 9550-9556
- Hagberg, D.P.¹ Marinado, T.² Karlsson, K.M.³ Nonomura, K.⁴ Qin, P.⁵ Boschloo, G.⁶ Brinck, T.⁷ Hagfeldt, A.⁸ Sun, L.⁹

10
- 42949178467
- The low-lying π σ state and its role in the intramolecular charge transfer of aminobenzonitriles and aminobenzethyne
- DOI 10.1063/1.2901976
- J. K. Lee, T. Fujiwara, W. G. Kofron, M. Z. Zgierski, and E. C. Lim, J. Chem. Phys. 0021-9606 128, 164512 (2008). 10.1063/1.2901976 (Pubitemid 351620539)
- (2008) Journal of Chemical Physics , vol.128 , Issue.16 , pp. 164512
- Lee, J.-K.¹ Fujiwara, T.² Kofron, W.G.³ Zgierski, M.Z.⁴ Lim, E.C.⁵

11
- 57349178074
- 0021-9606,. 10.1063/1.3025924
- B. M. Wong and J. G. Cordaro, J. Chem. Phys. 0021-9606 129, 214703 (2008). 10.1063/1.3025924
- (2008) J. Chem. Phys. , vol.129 , pp. 214703
- Wong, B.M.¹ Cordaro, J.G.²

12
- 58149340122
- 1932-7447,. 10.1021/jp808275z
- M. Xu, R. Li, N. Pootrakulchote, D. Shi, J. Guo, Z. Yi, S. M. Zakeeruddin, M. Grätzel, and P. Wang, J. Phys. Chem. C 1932-7447 112, 19770 (2008). 10.1021/jp808275z
- (2008) J. Phys. Chem. C , vol.112 , pp. 19770
- Xu, M.¹ Li, R.² Pootrakulchote, N.³ Shi, D.⁴ Guo, J.⁵ Yi, Z.⁶ Zakeeruddin, S.M.⁷ Grätzel, M.⁸ Wang, P.⁹

13
- 61749092912
- 0001-4842,. 10.1021/ar800163d
- D. Jacquemin, E. A. Perpete, I. Ciofini, and C. Adamo, Acc. Chem. Res. 0001-4842 42, 326 (2009). 10.1021/ar800163d
- (2009) Acc. Chem. Res. , vol.42 , pp. 326
- Jacquemin, D.¹ Perpete, E.A.² Ciofini, I.³ Adamo, C.⁴

14
- 67649083714
- 0021-9606,. 10.1063/1.3149856
- J. M. Granadino-Roldán, A. Garzón, G. García, T. Pea-Ruiz, M. P. Fernández-Liencres, A. Navarro, and M. Fernández-Gómez, J. Chem. Phys. 0021-9606 130, 234907 (2009). 10.1063/1.3149856
- (2009) J. Chem. Phys. , vol.130 , pp. 234907
- Granadino-Roldán, J.M.¹ Garzón, A.² García, G.³ Pea-Ruiz, T.⁴ Fernández-Liencres, M.P.⁵ Navarro, A.⁶ Fernández-Gómez, M.⁷

15
- 70349866147
- 1932-7447,. 10.1021/jp904946a
- J. Preat, C. Michaux, D. Jacquemin, and E. A. Perp̀te, J. Phys. Chem. C 1932-7447 113, 16821 (2009). 10.1021/jp904946a
- (2009) J. Phys. Chem. C , vol.113 , pp. 16821
- Preat, J.¹ Michaux, C.² Jacquemin, D.³ Perp̀te, E.A.⁴

16
- 2842565972
- 0163-1829,. 10.1103/PhysRevB.54.16533
- J. P. Perdew, K. Burke, and Y. Wang, Phys. Rev. B 0163-1829 54, 16533 (1996). 10.1103/PhysRevB.54.16533
- (1996) Phys. Rev. B , vol.54 , pp. 16533
- Perdew, J.P.¹ Burke, K.² Wang, Y.³

17
- 0000189651
- 0021-9606,. 10.1063/1.464913
- A. D. Becke, J. Chem. Phys. 0021-9606 98, 5648 (1993). 10.1063/1.464913
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

18
- 0001475454
- 0021-9606,. 10.1063/1.478522
- C. Adamo and V. Barone, J. Chem. Phys. 0021-9606 110, 6158 (1999). 10.1063/1.478522
- (1999) J. Chem. Phys. , vol.110 , pp. 6158
- Adamo, C.¹ Barone, V.²

19
- 12344308357
- In situ, time-resolved normal incidence reflectance spectroscopy of polycrystalline platinum microelectrodes in aqueous electrolytes
- DOI 10.1021/jp044732f
- I. Fromondi, P. Shi, A. Mineshige, and D. A. Scherson, J. Phys. Chem. B 1089-5647 109, 36 (2005). 10.1021/jp044732f (Pubitemid 40120942)
- (2005) Journal of Physical Chemistry B , vol.109 , Issue.1 , pp. 36-39
- Fromondi, I.¹ Shi, P.² Mineshige, A.³ Scherson, D.A.⁴

20
- 56349141985
- 1089-5647,. 10.1021/jp804687j
- J. Tao, S. Tretiak, and J. Zhu, J. Phys. Chem. B 1089-5647 112, 13701 (2008). 10.1021/jp804687j
- (2008) J. Phys. Chem. B , vol.112 , pp. 13701
- Tao, J.¹ Tretiak, S.² Zhu, J.³

21
- 0742304069
- 1089-5647,. 10.1021/jp036513k
- A. M. Masunov and S. Tretiak, J. Phys. Chem. B 1089-5647 108, 899 (2004). 10.1021/jp036513k
- (2004) J. Phys. Chem. B , vol.108 , pp. 899
- Masunov, A.M.¹ Tretiak, S.²

22
- 84961985847
- 1089-5639,. 10.1021/jp9716997
- V. Barone and M. Cossi, J. Phys. Chem. A 1089-5639 102, 1995 (1998). 10.1021/jp9716997
- (1998) J. Phys. Chem. A , vol.102 , pp. 1995
- Barone, V.¹ Cossi, M.²

23
- 78651425754
- GAUSSIAN03, Revision C.02, Gaussian, Inc., Pittsburgh, PA.
- M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN03, Revision C.02, Gaussian, Inc., Pittsburgh, PA, 2004.
- (2004)
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³

24
- 78651446573
- 2 film with and without TC1 dye.
- 2 film with and without TC1 dye.

25
- 78651413950
- S. I. Gorelsky (http://www.sg-chem.net/swizard/).
- Gorelsky, S.I.¹

26
- 28544448728
- Single-reference ab initio methods for the calculation of excited states of large molecules
- DOI 10.1021/cr0505627
- A. Dreuw and M. Head-Gordon, Chem. Rev. (Washington, D.C.) 0009-2665 105, 4009 (2005). 10.1021/cr0505627 (Pubitemid 41741652)
- (2005) Chemical Reviews , vol.105 , Issue.11 , pp. 4009-4037
- Dreuw, A.¹ Head-Gordon, M.²

27
- 43349095292
- 1432-881X,. 10.1007/s00214-007-0405-4
- J. Preat, D. Jacquemin, D. Vercauteren, and E. Perp̀te, Theor. Chem. Acc. 1432-881X 119, 463 (2008). 10.1007/s00214-007-0405-4
- (2008) Theor. Chem. Acc. , vol.119 , pp. 463
- Preat, J.¹ Jacquemin, D.² Vercauteren, D.³ Perp̀te, E.⁴

28
- 56549125952
- 1932-7447,. 10.1021/jp807191w
- D. Shi, Y. Cao, N. Pootrakulchote, Z. Yi, M. Xu, S. M. Zakeeruddin, M. Grätzel, and P. Wang, J. Phys. Chem. C 1932-7447 112, 17478 (2008). 10.1021/jp807191w
- (2008) J. Phys. Chem. C , vol.112 , pp. 17478
- Shi, D.¹ Cao, Y.² Pootrakulchote, N.³ Yi, Z.⁴ Xu, M.⁵ Zakeeruddin, S.M.⁶ Grätzel, M.⁷ Wang, P.⁸

29
- 29844454069
- 2 semiconductors
- DOI 10.1021/ja055185u
- S. G. Abuabara, L. G. C. Rego, and V. S. Batista, J. Am. Chem. Soc. 0002-7863 127, 18234 (2005). 10.1021/ja055185u (Pubitemid 43038486)
- (2005) Journal of the American Chemical Society , vol.127 , Issue.51 , pp. 18234-18242
- Abuabara, S.G.¹ Rego, L.G.C.² Batista, V.S.³

30
- 33750188208
- 1549-9618,. 10.1021/ct050141x
- P. Persson, M. J. Lundqvist, R. Ernstorfer, W. A. Goddard, and F. Willig, J. Chem. Theory Comput. 1549-9618 2, 441 (2006). 10.1021/ct050141x
- (2006) J. Chem. Theory Comput. , vol.2 , pp. 441
- Persson, P.¹ Lundqvist, M.J.² Ernstorfer, R.³ Goddard, W.A.⁴ Willig, F.⁵

31
- 40549135281
- 0001-4842,. 10.1021/ar700122b
- O. V. Prezhdo, W. R. Duncan, and V. V. Prezhdo, Acc. Chem. Res. 0001-4842 41, 339 (2008). 10.1021/ar700122b
- (2008) Acc. Chem. Res. , vol.41 , pp. 339
- Prezhdo, O.V.¹ Duncan, W.R.² Prezhdo, V.V.³

32
- 36248934849
- Influence of the sensitizer adsorption mode on the open-circuit potential of dye-sensitized solar cells
- DOI 10.1021/nl071835b
- F. De Angelis, S. Fantacci, A. Selloni, M. Grätzel, and M. K. Nazeeruddin, Nano Lett. 1530-6984 7, 3189 (2007). 10.1021/nl071835b (Pubitemid 350132951)
- (2007) Nano Letters , vol.7 , Issue.10 , pp. 3189-3195
- De Angelis, F.¹ Fantacci, S.² Selloni, A.³ Gratzel, M.⁴ Nazeeruddin, M.K.⁵

33
- 70349923784
- 0002-7863,. 10.1021/ja902833s
- F. Labat, I. Ciofini, H. P. Hratchian, M. Frisch, K. Raghavachari, and C. Adamo, J. Am. Chem. Soc. 0002-7863 131, 14290 (2009). 10.1021/ja902833s
- (2009) J. Am. Chem. Soc. , vol.131 , pp. 14290
- Labat, F.¹ Ciofini, I.² Hratchian, H.P.³ Frisch, M.⁴ Raghavachari, K.⁵ Adamo, C.⁶

34
- 28844470918
- Combined experimental and DFT-TDDFT computational study of photoelectrochemical cell ruthenium sensitizers
- DOI 10.1021/ja052467l
- M. K. Nazeeruddin, F. De Angelis, S. Fantacci, A. Selloni, G. Viscardi, P. Liska, S. Ito, B. Takeru, and M. Grätzel, J. Am. Chem. Soc. 0002-7863 127, 16835 (2005). 10.1021/ja052467l (Pubitemid 41772844)
- (2005) Journal of the American Chemical Society , vol.127 , Issue.48 , pp. 16835-16847
- Nazeeruddin, M.K.¹ De Angelis, F.² Fantacci, S.³ Selloni, A.⁴ Viscardi, G.⁵ Liska, P.⁶ Ito, S.⁷ Takeru, B.⁸ Gratzel, M.⁹

35
- 34249933172
- 2
- DOI 10.1146/annurev.physchem.58.052306.144054
- W. R. Duncan and O. V. Prezhdo, Annu. Rev. Phys. Chem. 0066-426X 58, 143 (2007). 10.1146/annurev.physchem.58.052306.144054 (Pubitemid 46877588)
- (2007) Annual Review of Physical Chemistry , vol.58 , pp. 143-184
- Duncan, W.R.¹ Prezhdo, O.V.²

36
- 33751201270
- Photoinduced electron transfer at molecule - Metal interfaces
- DOI 10.1021/cr0501689
- C. D. Lindstrom and X. Y. Zhu, Chem. Rev. (Washington, D.C.) 0009-2665 106, 4281 (2006). 10.1021/cr0501689 (Pubitemid 44782239)
- (2006) Chemical Reviews , vol.106 , Issue.10 , pp. 4281-4300
- Lindstrom, C.D.¹ Zhu, X.-Y.²

37
- 33646005172
- 1631-0748.
- S. Yanagida, C. R. Chim. 1631-0748 9, 597 (2006).
- (2006) C. R. Chim. , vol.9 , pp. 597
- Yanagida, S.¹

38
- 36249017292
- Organic D-π-A dyes for dye-sensitized solar cell
- DOI 10.2174/138527207781696008
- Z. Chen, F. Li, and C. Huang, Curr. Org. Chem. 1385-2728 11, 1241 (2007). 10.2174/138527207781696008 (Pubitemid 350130424)
- (2007) Current Organic Chemistry , vol.11 , Issue.14 , pp. 1241-1258
- Chen, Z.¹ Li, F.² Huang, C.³

39
- 65249097864
- 1089-5647,. 10.1021/jp805804r
- Z. Qu, H. Zhu, and V. May, J. Phys. Chem. B 1089-5647 113, 4817 (2009). 10.1021/jp805804r
- (2009) J. Phys. Chem. B , vol.113 , pp. 4817
- Qu, Z.¹ Zhu, H.² May, V.³

40
- 38649101862
- Characterization of solid-state dye-sensitized solar cells utilizing high absorption coefficient metal-free organic dyes
- DOI 10.1021/ja076525+
- W. H. Howie, F. Claeyssens, H. Miura, and L. M. Peter, J. Am. Chem. Soc. 0002-7863 130, 1367 (2008). 10.1021/ja076525+ (Pubitemid 351171017)
- (2008) Journal of the American Chemical Society , vol.130 , Issue.4 , pp. 1367-1375
- Howie, W.H.¹ Claeyssens, F.² Miura, H.³ Peter, L.M.⁴

41
- 27144539536
- 1089-5647,. 10.1021/jp0514123
- S. Rühle, M. Greenshtein, S. Chen, A. Merson, H. Pizem, C. S. Sukenik, D. Cahen, and A. Zaban, J. Phys. Chem. B 1089-5647 109, 18907 (2005). 10.1021/jp0514123
- (2005) J. Phys. Chem. B , vol.109 , pp. 18907
- Rühle, S.¹ Greenshtein, M.² Chen, S.³ Merson, A.⁴ Pizem, H.⁵ Sukenik, C.S.⁶ Cahen, D.⁷ Zaban, A.⁸

42
- 4644223203
- 0010-8545,. 10.1016/j.ccr.2004.03.017
- R. Katoh, A. Furube, A. V. Barzykin, H. Arakawa, and M. Tachiya, Coord. Chem. Rev. 0010-8545 248, 1195 (2004). 10.1016/j.ccr.2004.03.017
- (2004) Coord. Chem. Rev. , vol.248 , pp. 1195
- Katoh, R.¹ Furube, A.² Barzykin, A.V.³ Arakawa, H.⁴ Tachiya, M.⁵

43
- 11944264362
- 0009-2665,. 10.1021/cr00033a003
- A. Hagfeldt and M. Gätzel, Chem. Rev. (Washington, D.C.) 0009-2665 95, 49 (1995). 10.1021/cr00033a003
- (1995) Chem. Rev. (Washington, D.C.) , vol.95 , pp. 49
- Hagfeldt, A.¹ Gätzel, M.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.