SCOPUS 정보 검색 플랫폼

Molecular Physics

Volumn 112, Issue 1, 2014, Pages 22-34

Theoretical characterisation of highly efficient dye-sensitised solar cells

(5) Shalabi, A S a El Mahdy, A M b Assem, M M a Taha, H O b Abdel Halim, W S c

a BENHA UNIVERSITY (Egypt)

b Ain Shams University (Egypt)

c Zagazig University (Egypt)

Author keywords

conjugation; characterization; DFT; DSSCs; TD DFT

Indexed keywords

DFT; DSSCS; MOLECULAR ELECTRONIC STRUCTURE CALCULATIONS; MOLECULAR ELECTROSTATIC POTENTIALS; NONLINEAR OPTICAL PROPERTIES; NUCLEAR MAGNETIC RESONANCE CHEMICAL SHIFTS; TD-DFT; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

CHARACTERIZATION; DENSITY FUNCTIONAL THEORY; ENERGY GAP; INFRARED DEVICES; MOLECULAR ORBITALS; ZINC;

SOLAR CELLS;

EID: 84890789684 PISSN: 00268976 EISSN: 13623028 Source Type: Journal
DOI: 10.1080/00268976.2013.795249 Document Type: Article

Times cited : (13)

References (48)

1
- 72849106770
- H. Imahori., T. Umeyama., and S. Ito., Acc. Chem. Res. 42, 1809 (2009)
- (2009) Acc. Chem. Res , vol.42 , pp. 1809
- Imahori, H.¹ Umeyama, T.² Ito, S.³

2
- 74549145199
- X.-F. Wang. and H. Tamiaki., Energy Envron. Sci. 3, 94 (2010)
- (2010) Energy Envron. Sci , vol.3 , pp. 94
- Wang, X.-F.¹ Tamiaki, H.²

3
- 77956803717
- M.V. Martinez-Diaz., G. de la Torre., and T. Torres., Chem. Commun. 46, 7090 (2010)
- (2010) Chem. Commun , vol.46 , pp. 7090
- Martinez-Diaz, M.V.¹ De La Torre, G.² Torres, T.³

4
- 4644304103
- W.M. Campbell., A.K. Burell., D.L. Officer., and K.W. Jolley., Coord. Chem. Rev. 248, 1363 (2004)
- (2004) Coord. Chem. Rev , vol.248 , pp. 1363
- Campbell, W.M.¹ Burell, A.K.² Officer, D.L.³ Jolley, K.W.⁴

5
- 84890806785
- T. Dos Santos., A. Morandeira., S. Koops., A.J. Mozer., G. Tsekouras., Y. Dong., P. Wagner., G. Wallace., J.C. Earles., K.C. Gordon., D. Officer., and J.R. Durrant., J. Phys. Chem. C 114, 327 (2010)
- (2010) J. Phys. Chem. C , vol.114 , pp. 327
- Dos Santos, T.¹ Morandeira, A.² Koops, S.³ Mozer, A.J.⁴ Tsekouras, G.⁵ Dong, Y.⁶ Wagner, P.⁷ Wallace, G.⁸ Earles, J.C.⁹ Gordon, K.C.¹⁰ Officer, D.¹¹ Durrant, J.R.¹²

6
- 34250718154
- M. Tanaka., S. Hayashi., S. Eu., T. Umeyama., Y. Matano., and H. Imahori., Chem. Commun. 2069 (2007)
- (2007) Chem. Commun , pp. 2069
- Tanaka, M.¹ Hayashi, S.² Eu, S.³ Umeyama, T.⁴ Matano, Y.⁵ Imahori, H.⁶

7
- 54249084072
- S. Hayashi., M. Tanaka., H. Hayashi., S. Eu., T. Umeyama., Y. Matano., Y. Araki., and H. Imahori., J. Phys. Chem. C 112, 15576 (2008)
- (2008) J. Phys. Chem. C , vol.112 , pp. 15576
- Hayashi, S.¹ Tanaka, M.² Hayashi, H.³ Eu, S.⁴ Umeyama, T.⁵ Matano, Y.⁶ Araki, Y.⁷ Imahori, H.⁸

8
- 75149184942
- C.-Y. Lin., Y.-C. Wang., S.-J. Hsu., C.-F. Lo., and E.W.-G. Diau., J. Phys. Chem. C 114, 687 (2010)
- (2010) J. Phys. Chem. C , vol.114 , pp. 687
- Lin, C.-Y.¹ Wang, Y.-C.² Hsu, S.-J.³ Lo, C.-F.⁴ Diau, E.W.-G.⁵

9
- 42449151360
- S. Eu., S. Hayashi., T. Umeyama., Y. Araki., and H. Imahori., J. Phys. Chem. C 112, 4396 (2008)
- (2008) J. Phys. Chem. C , vol.112 , pp. 4396
- Eu, S.¹ Hayashi, S.² Umeyama, T.³ Araki, Y.⁴ Imahori, H.⁵

10
- 77954061540
- A. Kira., Y. Matsubara., H. Iijima., T. Umeyama., Y. Matano., S. Ito., M. Niemi., N.V. Tkachenko., H. Lemmetyinen., and H. Imahori., J. Phys. Chem. C 114, 11293 (2010)
- (2010) J. Phys. Chem. C , vol.114 , pp. 11293
- Kira, A.¹ Matsubara, Y.² Iijima, H.³ Umeyama, T.⁴ Matano, Y.⁵ Ito, S.⁶ Niemi, M.⁷ Tkachenko, N.V.⁸ Lemmetyinen, H.⁹ Imahori, H.¹⁰

11
- 77956499754
- T. Bessho., S.M. Zakeeruddin., C.-Y. Yeh., E.W.-G. Diau., and M. Gratzel., Angew. Chem. Int. Ed. 49, 6646 (2010)
- (2010) Angew. Chem. Int. Ed , vol.49 , pp. 6646
- Bessho, T.¹ Zakeeruddin, S.M.² Yeh, C.-Y.³ Diau, E.W.-G.⁴ Gratzel, M.⁵

12
- 80555157669
- A. Yella., H.-W. Lee., H.N. Tsao., C. Yi., A.K. Chandiran., M.K. Nazeeruddin., E.W.-G. Diau., C.-Y. Yeh., S.M. Zakeeruddin., and M. Gratzel., Science 334, 629 (2011)
- (2011) Science , vol.334 , pp. 629
- Yella, A.¹ Lee, H.-W.² Tsao, H.N.³ Yi, C.⁴ Chandiran, A.K.⁵ Nazeeruddin, M.K.⁶ Diau, E.W.-G.⁷ Yeh, C.-Y.⁸ Zakeeruddin, S.M.⁹ Gratzel, M.¹⁰

13
- 84890787938
- (Nanomaterials: Design and Simulation, Elsevier B. V.), Chap. 11
- W.R. Duncan., W. Stier. and O.V. Prezhdo., Ab Initio Simulations of Photoinduced Molecule-Semiconductor Electron Transfer (Nanomaterials: Design and Simulation, Elsevier B. V., 2007),. Chap. 11
- (2007) Ab Initio Simulations of Photoinduced Molecule-Semiconductor Electron Transfer
- Duncan, W.R.¹ Stier, W.² Prezhdo, O.V.³

14
- 3342927029
- M.A.L. Marques. and E.K.U. Gross., Annu. Rev. Phys. Chem. 55, 427 (2004)
- (2004) Annu. Rev. Phys. Chem , vol.55 , pp. 427
- Marques, M.A.L.¹ Gross, E.K.U.²

15
- 0000189651
- A.D. Becke., J. Chem. Phys. 98, 5648 (1993)
- (1993) J. Chem. Phys , vol.98 , pp. 5648
- Becke, A.D.¹

16
- 0000216001
- S.H. Vosko., L. Wilk., and M. Nusair., Can. J. Phys. 58, 1200 (1980)
- (1980) Can. J. Phys , vol.58 , pp. 1200
- Vosko, S.H.¹ Wilk, L.² Nusair, M.³

17
- 4243553426
- A.D. Becke., Phys. Rev. A 38, 3098 (1988)
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

18
- 0345491105
- C. Lee., W. Yang., and R.G. Parr., Phys. Rev. B 37, 785 (1988)
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

19
- 0031249321
- R. Caballol., O. Castell., F. Illas., J.P. Malrieu., and I.P.R. Moreira., J. Phys. Chem. A 101, 7860 (1997)
- (1997) J. Phys. Chem. A , vol.101 , pp. 7860
- Caballol, R.¹ Castell, O.² Illas, F.³ Malrieu, J.P.⁴ Moreira, I.P.R.⁵

20
- 28844470918
- M.K. Nazeeruddin., F. De Angelis., S. Fantacci., A. Selloni., G. Viscardi., P. Liska., S. Ito., B. Takeru., and M. Gratzel., Am. Chem. Soc. 127, 16835 (2005)
- (2005) Am. Chem. Soc , vol.127 , pp. 16835
- 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

21
- 84962349001
- M. Cossi., N. Rega., G. Scalmani., and V. Barone., J. Comput. Chem. 24, 669 (2003)
- (2003) J. Comput. Chem , vol.24 , pp. 669
- Cossi, M.¹ Rega, N.² Scalmani, G.³ Barone, V.⁴

22
- 40549115627
- N.M. OBoyle., A.L. Tenderholt., and K.M. Langner., J. Comput. Chem. 29, 839 (2008)
- (2008) J. Comput. Chem , vol.29 , pp. 839
- Oboyle, N.M.¹ Tenderholt, A.L.² Langner, K.M.³

23
- 70450206724
- (Gaussian, Inc. Pittsburgh, PA)
- M.J. Frisch., G.W. Trucks., H.B. Schlegel., G.E. Scuseria., M.A. Robb., J.R. Cheeseman., G. Scalmani., V. Barone., B. Mennucci., G.A. Petersson., H. Nakatsuji., M. Caricato., X. Li., H.P. Hratchian., A.F. Izmaylov., J. Bloino., G. Zheng., J.L. Sonnenberg., M. Hada., M. Ehara., K. Toyota., R. Fukuda., J. Hasegawa., M. Ishida., T. Nakajima., Y. Honda., O. Kitao., H. Nakai., T. Vreven., J.A. Montgomery, Jr., J.E. Peralta., F. Ogliaro., M. Bearpark., J.J. Heyd., E. Brothers., K.N. Kudin., V.N. Staroverov., T. Keith., R. Kobayashi., J. Normand., K. Raghavachari., A. Rendell., J.C. Burant., S.S. Iyengar., J. Tomasi., M. Cossi., N. Rega., J.M. Millam., M. Klene., J.E. Knox., J.B. Cross., V. Bakken., C. Adamo., J. Jaramillo., R. Gomperts., R.E. Stratmann., O. Yazyev., A.J. Austin., R. Cammi., C. Pomelli., J.W. Ochterski., R.L. Martin., K. Morokuma., V.G. Zakrzewski., G.A. Voth., P. Salvador., J.J. Dannenberg., S. Dapprich., A.D. Daniels., O. Farkas., J.B. Foresman., J.V. Ortiz., J. Cioslowski., and D.J. Fox., Gaussian 09 (Gaussian, Inc., Pittsburgh, PA, 1995-2011)
- (1995) Gaussian 09
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³ Scuseria, G.E.⁴ Robb, M.A.⁵ Cheeseman, J.R.⁶ Scalmani, G.⁷ Barone, V.⁸ Mennucci, B.⁹ Petersson, G.A.¹⁰ Nakatsuji, H.¹¹ Caricato, M.¹² Li, X.¹³ Hratchian, H.P.¹⁴ Izmaylov, A.F.¹⁵ Bloino, J.¹⁶ Zheng, G.¹⁷ Sonnenberg, J.L.¹⁸ Hada, M.¹⁹ Ehara, M.²⁰ more..

24
- 84857820566
- B.E. Hardin., H.J. Snaith., and M.D. McGehee., Nat. Photonics 6, 162 (2012)
- (2012) Nat. Photonics , vol.6 , pp. 162
- Hardin, B.E.¹ Snaith, H.J.² McGehee, M.D.³

25
- 0001065383
- Y. Tachinaba., S.A. Haque., I.P. Mercer., J.R. Durrant. and D.R. Klug., J. Phys. Chem. B 104, 1198 (2000)
- (2000) J. Phys. Chem. B , vol.104 , pp. 1198
- Tachinaba, Y.¹ Haque, S.A.² Mercer, I.P.³ Durrant, J.R.⁴ Klug, D.R.⁵

26
- 0043076205
- J.L. Retsek., C.M. Drain., C. Kirmaier., D.J. Nurco., C.J. Medforth., K.M. Smith., I.V. Sazanovich., V.S. Chirvony., J. Fajer., and D. Holten., J. Am. Chem. Soc. 125, 9787 (2003)
- (2003) J. Am. Chem. Soc , vol.125 , pp. 9787
- Retsek, J.L.¹ Drain, C.M.² Kirmaier, C.³ Nurco, D.J.⁴ Medforth, C.J.⁵ Smith, K.M.⁶ Sazanovich, I.V.⁷ Chirvony, V.S.⁸ Fajer, J.⁹ Holten, D.¹⁰

27
- 33750905066
- M.J. Lundqvist., M. Nilsing., P. Persson., and S. Luell., I. J. Quantum Chem. 106, 3214 (2006)
- (2006) I. J. Quantum Chem , vol.106 , pp. 3214
- Lundqvist, M.J.¹ Nilsing, M.² Persson, P.³ Luell, S.⁴

28
- 0035891138
- M. Gratzel., Nature 414, 338 (2001)
- (2001) Nature , vol.414 , pp. 338
- Gratzel, M.¹

29
- 67449114205
- Z. Ning., Q. Zhang., H. Pei., J. Luan., C. Lu., Y. Cui., and H. Tian., J. Phys. Chem. C 113, 10307 (2009)
- (2009) J. Phys. Chem. C , vol.113 , pp. 10307
- Ning, Z.¹ Zhang, Q.² Pei, H.³ Luan, J.⁴ Lu, C.⁵ Cui, Y.⁶ Tian, H.⁷

30
- 0347899829
- D. Cahen., G. Hodes., M. Gratzel., J.F. Juillemoles., and I. Riess., J. Phys. Chem. B 104, 2053 (2000)
- (2000) J. Phys. Chem. B , vol.104 , pp. 2053
- Cahen, D.¹ Hodes, G.² Gratzel, M.³ Juillemoles, J.F.⁴ Riess, I.⁵

31
- 21244493121
- D.F. Waston. and G.J. Meyer., Annu. Rev. Phys. Chem. 56, 119 (2005)
- (2005) Annu. Rev. Phys. Chem , vol.56 , pp. 119
- Waston, D.F.¹ Meyer, G.J.²

32
- 78651421557
- B. Peng., S. Yang., L. Li., F. Cheng., and J. Chen., J. Chem. Phys. 132, 034305 (2010)
- (2010) J. Chem. Phys , vol.132 , pp. 034305
- Peng, B.¹ Yang, S.² Li, L.³ Cheng, F.⁴ Chen, J.⁵

33
- 3042684982
- T.A. Hiemer., S.T. DAreangelis., F. Farzad., J.M. Stipkala., and G. Meyer., J. Inorg. Chem. 35, 5319 (1996)
- (1996) J. Inorg. Chem , vol.35 , pp. 5319
- Hiemer, T.A.¹ Dareangelis, S.T.² Farzad, F.³ Stipkala, J.M.⁴ Meyer, G.⁵

34
- 33749445043
- D.L. Wang., H.T. Shen., H.M. Gu., and Y.C. Zhai., J. Mol. Struct.: THEOCHEM 776, 47 (2006)
- (2006) J. Mol. Struct.: THEOCHEM , vol.776 , pp. 47
- Wang, D.L.¹ Shen, H.T.² Gu, H.M.³ Zhai, Y.C.⁴

35
- 0001548657
- G. Naray-Szabo. and G.G. Ferenczy., Chem. Rev. 95, 829 (1995)
- (1995) Chem. Rev , vol.95 , pp. 829
- Naray-Szabo, G.¹ Ferenczy, G.G.²

36
- 0003686055
- edited by A.M. Spase (Oxford University Press, New York), Chap. 3
- J.S. Murray. and P. Politzer., in Molecular Orbital Calculations for Biological Systems, edited by A.M. Spase. (Oxford University Press, New York, 1998),. Chap. 3
- (1998) Molecular Orbital Calculations for Biological Systems
- Murray, J.S.¹ Politzer, P.²

37
- 35349005334
- M.O. Senge., M. Fazekas., E.G.A. Notaras., W.J. Blau., M. Zawadzka., O.B. Locos., and E.M.N. Mhuircheartaigh., Adv. Mater. 19, 2737 (2007)
- (2007) Adv. Mater , vol.19 , pp. 2737
- Senge, M.O.¹ Fazekas, M.² Notaras, E.G.A.³ Blau, W.J.⁴ Zawadzka, M.⁵ Locos, O.B.⁶ Mhuircheartaigh, E.M.N.⁷

38
- 36849106175
- R. Ditchfield., J. Chem. Phys. 56, 5688 (1972)
- (1972) J. Chem. Phys , vol.56 , pp. 5688
- Ditchfield, R.¹

39
- 11744305193
- K. Wolinski., J.F. Hinton., and P. Pulay., J. Am. Chem. Soc. 112, 8251 (1990)
- (1990) J. Am. Chem. Soc , vol.112 , pp. 8251
- Wolinski, K.¹ Hinton, J.F.² Pulay, P.³

40
- 72049132627
- O. Prasad., L. Sinha., N. Misra., V. Narayan., N. Kumar., and J. Pathak., J. Mol. Struct.: THEOCHEM 940, 82 (2010)
- (2010) J. Mol. Struct.: THEOCHEM , vol.940 , pp. 82
- Prasad, O.¹ Sinha, L.² Misra, N.³ Narayan, V.⁴ Kumar, N.⁵ Pathak, J.⁶

41
- 76349107812
- R. Zhang., B. Du., G. Sun., and Y. Sun., Spectrochim. Acta A 75, 1115 (2010)
- (2010) Spectrochim. Acta A , vol.75 , pp. 1115
- Zhang, R.¹ Du, B.² Sun, G.³ Sun, Y.⁴

42
- 84863778998
- (VCH Publishers, Deerfield Beach)
- K. Philaga. and E. Kleinpeter., Carbon-13 Chemical in Structural and Stereochemical Analysis (VCH Publishers, Deerfield Beach, 1994)
- (1994) Carbon-13 Chemical in Structural and Stereochemical Analysis
- Philaga, K.¹ Kleinpeter, E.²

43
- 84865829465
- Mi-J. Lee., M.P. Balanay., and D.H. Kim., Theor. Chem. Acc. 131, 1269 (2012)
- (2012) Theor. Chem. Acc , vol.131 , pp. 1269
- Lee, M.-J.¹ Balanay, M.P.² Kim, D.H.³

44
- 0003767120
- (Wiley, New York)
- Y.R. Shen., The Principles of Non Linear Optics (Wiley, New York, 1984)
- (1984) The Principles of Non Linear Optics
- Shen, Y.R.¹

45
- 0003545308
- (Wiley, New York)
- P.N. Prasad. and D.J. Williams., Introduction to Non Linear Optical Effects in Molecules and Polymers (Wiley, New York, 1990)
- (1990) Introduction to Non Linear Optical Effects in Molecules and Polymers
- Prasad, P.N.¹ Williams, D.J.²

46
- 80054046054
- M. Cinar., A. Coruh., and M. Karabacak., Spectrochimica Acta A 83, 561 (2011)
- (2011) Spectrochimica Acta , vol.83 A , pp. 561
- Cinar, M.¹ Coruh, A.² Karabacak, M.³

47
- 70349150595
- J. Fortage., A. Scarpaci., L. Viau., Y. Pellegrin., E. Blart., M. Falkenstrom., H. Leif., I. Asselberghs., R. Kellens., W. Libaers., K. Clays., M.P. Eng., and F. Odobel., Chem. Eur. J. 15, 9058 (2009)
- (2009) Chem. Eur. J , vol.15 , pp. 9058
- Fortage, J.¹ Scarpaci, A.² Viau, L.³ Pellegrin, Y.⁴ Blart, E.⁵ Falkenstrom, M.⁶ Leif, H.⁷ Asselberghs, I.⁸ Kellens, R.⁹ Libaers, W.¹⁰ Clays, K.¹¹ Eng, M.P.¹² Odobel, F.¹³

48
- 23944469254
- S. Sitha., K. Srinivas., P. Raghunath., K. Bhanuprakash., and V.J. Rao., J. Mol. Struct.: THEOCHEM 728, 57 (2005).
- (2005) J. Mol. Struct.: THEOCHEM , vol.728 , pp. 57
- Sitha, S.¹ Srinivas, K.² Raghunath, P.³ Bhanuprakash, K.⁴ Rao, V.J.⁵

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.