메뉴 건너뛰기




Volumn 6, Issue 8, 2015, Pages 1423-1429

Photoinduced energy shift in quantum-dot-sensitized TiO2: A first-principles analysis

Author keywords

first principles electronic structure calculations; photoinduced dipole phenomenon; quantum dot sensitized solar cells

Indexed keywords

CALCULATIONS; ELECTRONIC STRUCTURE; GROUND STATE; NANOCRYSTALS; TITANIUM DIOXIDE;

EID: 84927937962     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/acs.jpclett.5b00393     Document Type: Article
Times cited : (12)

References (45)
  • 1
    • 0030084093 scopus 로고    scopus 로고
    • Semiconductor Clusters, Nanocrystals, and Quantum Dots
    • Alivisatos, A. P. Semiconductor Clusters, Nanocrystals, and Quantum Dots Science 1996, 271, 933-937
    • (1996) Science , vol.271 , pp. 933-937
    • Alivisatos, A.P.1
  • 3
    • 57949087144 scopus 로고    scopus 로고
    • Quantum Dot Solar Cells. Semiconductor Nanocrystals as Light Harvesters
    • Kamat, P. V. Quantum Dot Solar Cells. Semiconductor Nanocrystals as Light Harvesters J. Phys. Chem. C 2008, 112, 18737-18753
    • (2008) J. Phys. Chem. C , vol.112 , pp. 18737-18753
    • Kamat, P.V.1
  • 4
    • 33748809508 scopus 로고    scopus 로고
    • Mechanisms for Photogeneration and Recombination of Multiexcitons in Semiconductor
    • Klimov, V. I. Mechanisms for Photogeneration and Recombination of Multiexcitons in Semiconductor J. Phys. Chem. B 2006, 110, 16827-16845
    • (2006) J. Phys. Chem. B , vol.110 , pp. 16827-16845
    • Klimov, V.I.1
  • 5
    • 78751540145 scopus 로고    scopus 로고
    • Comparing Multiple Exciton Generation in Quantum Dots to Impact Ionization in Bulk Semiconductors: Implications for Enhancement of Solar Energy Conversion
    • Beard, M. C.; Midgett, A. G.; Hanna, M. C.; Luther, J. M.; Hughes, B. K.; Nozik, A. J. Comparing Multiple Exciton Generation in Quantum Dots to Impact Ionization in Bulk Semiconductors: Implications for Enhancement of Solar Energy Conversion Nano Lett. 2010, 10, 3019-3027
    • (2010) Nano Lett. , vol.10 , pp. 3019-3027
    • Beard, M.C.1    Midgett, A.G.2    Hanna, M.C.3    Luther, J.M.4    Hughes, B.K.5    Nozik, A.J.6
  • 6
    • 34548180960 scopus 로고
    • Detailed Balance Limit of Efficiency of p-n Junction Solar Cells
    • Shockley, W.; Queisser, H. J. Detailed Balance Limit of Efficiency of p-n Junction Solar Cells J. Appl. Phys. 1961, 32, 510-519
    • (1961) J. Appl. Phys. , vol.32 , pp. 510-519
    • Shockley, W.1    Queisser, H.J.2
  • 8
    • 84901393064 scopus 로고    scopus 로고
    • Materials and Interfaces in Quantum Dot Sensitized Solar Cells: Challenges, Advances and Prospects
    • Hod, I.; Zaban, A. Materials and Interfaces in Quantum Dot Sensitized Solar Cells: Challenges, Advances and Prospects Langmuir 2014, 30, 7264-7273
    • (2014) Langmuir , vol.30 , pp. 7264-7273
    • Hod, I.1    Zaban, A.2
  • 10
    • 77955009789 scopus 로고    scopus 로고
    • Quantum-Dot-Sensitized Solar Cells
    • Rühle, S.; Shalom, M.; Zaban, A. Quantum-Dot-Sensitized Solar Cells ChemPhysChem 2010, 11, 2290-304
    • (2010) ChemPhysChem , vol.11 , pp. 2290-304
    • Rühle, S.1    Shalom, M.2    Zaban, A.3
  • 12
    • 84921757664 scopus 로고    scopus 로고
    • Band Engineering in Core/Shell ZnTe/CdSe for Photovoltage and Efficiency Enhancement in Exciplex
    • Jiao, S.; Shen, Q.; Mora-Seró, I.; Wang, J.; Pan, Z.; Zhao, K.; Kuga, Y.; Zhong, X.; Bisquert, J. Band Engineering in Core/Shell ZnTe/CdSe for Photovoltage and Efficiency Enhancement in Exciplex ACS Nano 2015, 908-915
    • (2015) ACS Nano , pp. 908-915
    • Jiao, S.1    Shen, Q.2    Mora-Seró, I.3    Wang, J.4    Pan, Z.5    Zhao, K.6    Kuga, Y.7    Zhong, X.8    Bisquert, J.9
  • 14
    • 84922586427 scopus 로고    scopus 로고
    • Compositional Engineering of Perovskite Materials for High-Performance Solar Cells
    • Jeon, N. J.; Noh, J. H.; Yang, W. S.; Kim, Y. C.; Ryu, S.; Seo, J.; Seok, S. I. Compositional Engineering of Perovskite Materials for High-Performance Solar Cells Nature 2015, 517, 476-480
    • (2015) Nature , vol.517 , pp. 476-480
    • Jeon, N.J.1    Noh, J.H.2    Yang, W.S.3    Kim, Y.C.4    Ryu, S.5    Seo, J.6    Seok, S.I.7
  • 18
    • 81755167299 scopus 로고    scopus 로고
    • Electronic and Optical Properties of the Spiro-MeOTAD Hole Conductor in Its Neutral and Oxidized Forms: A DFT/TDDFT Investigation
    • Fantacci, S.; De Angelis, F.; Nazeeruddin, M. K.; Gr, M. Electronic and Optical Properties of the Spiro-MeOTAD Hole Conductor in Its Neutral and Oxidized Forms: A DFT/TDDFT Investigation J. Phys. Chem. C 2011, 115, 23126-23133
    • (2011) J. Phys. Chem. C , vol.115 , pp. 23126-23133
    • Fantacci, S.1    De Angelis, F.2    Nazeeruddin, M.K.3    Gr, M.4
  • 19
    • 84859715449 scopus 로고    scopus 로고
    • Panchromatic Photon-Harvesting by Hole-Conducting Materials in Inorganic-Organic Heterojunction Sensitized-Solar Cell through the Formation of Banostructured Electron Channels
    • Chang, J. A.; Im, S. H.; Lee, Y. H.; Kim, H.-J.; Lim, C.-S.; Heo, J. H.; Seok, S. I. Panchromatic Photon-Harvesting by Hole-Conducting Materials in Inorganic-Organic Heterojunction Sensitized-Solar Cell through the Formation of Banostructured Electron Channels Nano Lett. 2012, 12, 1863-1867
    • (2012) Nano Lett. , vol.12 , pp. 1863-1867
    • Chang, J.A.1    Im, S.H.2    Lee, Y.H.3    Kim, H.-J.4    Lim, C.-S.5    Heo, J.H.6    Seok, S.I.7
  • 21
    • 80755189425 scopus 로고    scopus 로고
    • Toward Interaction of Sensitizer and Functional Moieties in Hole-Transporting Materials for Efficient Semiconductor-Sensitized Solar Cells
    • Im, S. H.; Lim, C.-S.; Chang, J. A.; Lee, Y. H.; Maiti, N.; Kim, H.-J.; Nazeeruddin, M. K.; Grätzel, M.; Seok, S. I. Toward Interaction of Sensitizer and Functional Moieties in Hole-Transporting Materials for Efficient Semiconductor-Sensitized Solar Cells Nano Lett. 2011, 11, 4789-4793
    • (2011) Nano Lett. , vol.11 , pp. 4789-4793
    • Im, S.H.1    Lim, C.-S.2    Chang, J.A.3    Lee, Y.H.4    Maiti, N.5    Kim, H.-J.6    Nazeeruddin, M.K.7    Grätzel, M.8    Seok, S.I.9
  • 23
    • 27144539536 scopus 로고    scopus 로고
    • Molecular Adjustment of the Electronic Properties of Nanoporous Electrodes in Dye-Sensitized Solar Cells
    • Rühle, S.; Greenshtein, M.; Chen, S.-G.; Merson, A.; Pizem, H.; Sukenik, C. S.; Cahen, D.; Zaban, A. Molecular Adjustment of the Electronic Properties of Nanoporous Electrodes in Dye-Sensitized Solar Cells J. Phys. Chem. B 2005, 109, 18907-18913
    • (2005) J. Phys. Chem. B , vol.109 , pp. 18907-18913
    • Rühle, S.1    Greenshtein, M.2    Chen, S.-G.3    Merson, A.4    Pizem, H.5    Sukenik, C.S.6    Cahen, D.7    Zaban, A.8
  • 24
    • 77952356142 scopus 로고    scopus 로고
    • Design of Injection and Recombination in Quantum Dot Sensitized Solar Cells
    • Zaban, A.; Bisquert, J.; Ilan, B.; Uni, V.; Gan, R. Design of Injection and Recombination in Quantum Dot Sensitized Solar Cells J. Am. Chem. Soc. 2010, 6834-6839
    • (2010) J. Am. Chem. Soc. , pp. 6834-6839
    • Zaban, A.1    Bisquert, J.2    Ilan, B.3    Uni, V.4    Gan, R.5
  • 25
    • 67651211404 scopus 로고    scopus 로고
    • Energy Level Alignment in CdS Quantum Dot Sensitized Solar Cells Using Molecular Dipoles
    • Shalom, M.; Rühle, S.; Hod, I.; Yahav, S.; Zaban, A. Energy Level Alignment in CdS Quantum Dot Sensitized Solar Cells Using Molecular Dipoles J. Am. Chem. Soc. 2009, 131, 9876-9877
    • (2009) J. Am. Chem. Soc. , vol.131 , pp. 9876-9877
    • Shalom, M.1    Rühle, S.2    Hod, I.3    Yahav, S.4    Zaban, A.5
  • 26
    • 84875846949 scopus 로고    scopus 로고
    • Characterization and Control of the Electronic Properties of a NiO Based Dye Sensitized Photocathode
    • Hod, I.; Tachan, Z.; Shalom, M.; Zaban, A. Characterization and Control of the Electronic Properties of a NiO Based Dye Sensitized Photocathode Phys. Chem. Chem. Phys. 2013, 15, 6339-6343
    • (2013) Phys. Chem. Chem. Phys. , vol.15 , pp. 6339-6343
    • Hod, I.1    Tachan, Z.2    Shalom, M.3    Zaban, A.4
  • 27
    • 80051921358 scopus 로고    scopus 로고
    • Illumination Intensity-Dependent Electronic Properties in Quantum Dot Sensitized Solar Cells
    • Shalom, M.; Tachan, Z.; Bouhadana, Y.; Barad, H.-N.; Zaban, A. Illumination Intensity-Dependent Electronic Properties in Quantum Dot Sensitized Solar Cells J. Phys. Chem. Lett. 2011, 2011, 1998-2003
    • (2011) J. Phys. Chem. Lett. , vol.2011 , pp. 1998-2003
    • Shalom, M.1    Tachan, Z.2    Bouhadana, Y.3    Barad, H.-N.4    Zaban, A.5
  • 28
    • 84865996640 scopus 로고    scopus 로고
    • Design Rules for High-Efficiency Quantum-Dot-Sensitized Solar Cells: A Multilayer Approach
    • Shalom, M.; Buhbut, S.; Tirosh, S.; Zaban, A. Design Rules for High-Efficiency Quantum-Dot-Sensitized Solar Cells: A Multilayer Approach J. Phys. Chem. Lett. 2012, 3, 2436-2441
    • (2012) J. Phys. Chem. Lett. , vol.3 , pp. 2436-2441
    • Shalom, M.1    Buhbut, S.2    Tirosh, S.3    Zaban, A.4
  • 29
    • 84905731645 scopus 로고    scopus 로고
    • Photophysics of Voltage Increase by Photoinduced Dipole Layers in Sensitized Solar Cells
    • Kazes, M.; Buhbut, S.; Itzhakov, S.; Lahad, O.; Zaban, A.; Oron, D. Photophysics of Voltage Increase by Photoinduced Dipole Layers in Sensitized Solar Cells J. Phys. Chem. Lett. 2014, 5, 2717-2722
    • (2014) J. Phys. Chem. Lett. , vol.5 , pp. 2717-2722
    • Kazes, M.1    Buhbut, S.2    Itzhakov, S.3    Lahad, O.4    Zaban, A.5    Oron, D.6
  • 30
    • 84884228710 scopus 로고    scopus 로고
    • Photo-Induced Dipoles: A New Method to Convert Photons into Photovoltage in Quantum Dot Sensitized Solar Cells
    • Buhbut, S.; Itzhakov, S.; Hod, I.; Oron, D.; Zaban, A. Photo-Induced Dipoles: A New Method to Convert Photons into Photovoltage in Quantum Dot Sensitized Solar Cells Nano Lett. 2013, 13, 4456-4461
    • (2013) Nano Lett. , vol.13 , pp. 4456-4461
    • Buhbut, S.1    Itzhakov, S.2    Hod, I.3    Oron, D.4    Zaban, A.5
  • 32
    • 0035891138 scopus 로고    scopus 로고
    • Photoelectrochemical Cells
    • Grätzel, M. Photoelectrochemical Cells Nature 2001, 414, 338-344
    • (2001) Nature , vol.414 , pp. 338-344
    • Grätzel, M.1
  • 33
    • 23944482187 scopus 로고    scopus 로고
    • Self-Assembled Highly Faceted Wurtzite-Type ZnS Single-Crystalline Nanotubes with Hexagonal Cross-Sections
    • Yin, L.-W.; Bando, Y.; Zhan, J.-H.; Li, M.-S.; Golberg, D. Self-Assembled Highly Faceted Wurtzite-Type ZnS Single-Crystalline Nanotubes with Hexagonal Cross-Sections Adv. Mater. 2005, 17, 1972-1977
    • (2005) Adv. Mater. , vol.17 , pp. 1972-1977
    • Yin, L.-W.1    Bando, Y.2    Zhan, J.-H.3    Li, M.-S.4    Golberg, D.5
  • 34
    • 84866993079 scopus 로고    scopus 로고
    • A First-Principles Study of II-VI (II = Zn; VI = O, S, Se, Te) Semiconductor Nanostructures
    • Azpiroz, J. M.; Infante, I.; Lopez, X.; Ugalde, J. M.; De Angelis, F. A First-Principles Study of II-VI (II = Zn; VI = O, S, Se, Te) Semiconductor Nanostructures J. Mater. Chem. 2012, 22, 21453-21465
    • (2012) J. Mater. Chem. , vol.22 , pp. 21453-21465
    • Azpiroz, J.M.1    Infante, I.2    Lopez, X.3    Ugalde, J.M.4    De Angelis, F.5
  • 35
    • 84255173374 scopus 로고    scopus 로고
    • Modeling ZnS and ZnO Nanostructures: Structural, Electronic, and Optical Properties
    • Azpiroz, J. M.; Mosconi, E.; De Angelis, F. Modeling ZnS and ZnO Nanostructures: Structural, Electronic, and Optical Properties J. Phys. Chem. C 2011, 115, 25219-25226
    • (2011) J. Phys. Chem. C , vol.115 , pp. 25219-25226
    • Azpiroz, J.M.1    Mosconi, E.2    De Angelis, F.3
  • 36
    • 18044402904 scopus 로고    scopus 로고
    • Synthesis and Characterization of CdS Nanoparticles Stabilized by Double-Hydrophilic Block Copolymers
    • Qi, L.; Cölfen, H.; Antonietti, M. Synthesis and Characterization of CdS Nanoparticles Stabilized by Double-Hydrophilic Block Copolymers Nano Lett. 2001, 1, 61-65
    • (2001) Nano Lett. , vol.1 , pp. 61-65
    • Qi, L.1    Cölfen, H.2    Antonietti, M.3
  • 37
    • 1942532094 scopus 로고    scopus 로고
    • ZnS Bubble Clusters with Onion-Like Structures
    • Spanó, E.; Hamad, S.; Catlow, C. R. A. ZnS Bubble Clusters with Onion-Like Structures Chem. Commun. 2004, 7, 864-865
    • (2004) Chem. Commun. , vol.7 , pp. 864-865
    • Spanó, E.1    Hamad, S.2    Catlow, C.R.A.3
  • 38
    • 77958484983 scopus 로고    scopus 로고
    • Breakthroughs in the Development of Semiconductor-Sensitized Solar Cells
    • Mora-Seró, I.; Bisquert, J. Breakthroughs in the Development of Semiconductor-Sensitized Solar Cells J. Phys. Chem. Lett. 2010, 1, 3046-3052
    • (2010) J. Phys. Chem. Lett. , vol.1 , pp. 3046-3052
    • Mora-Seró, I.1    Bisquert, J.2
  • 40
    • 4243943295 scopus 로고    scopus 로고
    • Generalized Gradient Approximation Made Simple
    • Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865-3868
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 42
    • 84892596723 scopus 로고    scopus 로고
    • Benchmark Assessment of Density Functional Methods on Group II-VI MX (M = Zn, Cd; X = S, Se, Te) Quantum Dots
    • Azpiroz, J. M.; Ugalde, J. M.; Infante, I. Benchmark Assessment of Density Functional Methods on Group II-VI MX (M = Zn, Cd; X = S, Se, Te) Quantum Dots J. Chem. Theory Comput. 2014, 10, 76-89
    • (2014) J. Chem. Theory Comput. , vol.10 , pp. 76-89
    • Azpiroz, J.M.1    Ugalde, J.M.2    Infante, I.3
  • 43
    • 34250817103 scopus 로고
    • A New Mixing of Hartree-Fock and Local Density-Functional Theories
    • Becke, A. D. A New Mixing of Hartree-Fock and Local Density-Functional Theories J. Chem. Phys. 1993, 98, 1372-1377
    • (1993) J. Chem. Phys. , vol.98 , pp. 1372-1377
    • Becke, A.D.1
  • 45
    • 84962349001 scopus 로고    scopus 로고
    • Energies, Structures, and Electronic Properties of Molecules in Solution with the C-PCM Solvation Model
    • Cossi, M.; Rega, N.; Scalmani, G.; Barone, V. Energies, Structures, and Electronic Properties of Molecules in Solution with the C-PCM Solvation Model J. Comput. Chem. 2003, 24, 669-681
    • (2003) J. Comput. Chem. , vol.24 , pp. 669-681
    • Cossi, M.1    Rega, N.2    Scalmani, G.3    Barone, V.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.