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Volumn 1140, Issue , 2013, Pages 187-218

Electronic properties of silver doped tio2 anatase (100) surface

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC PROPERTIES; MOLECULAR DYNAMICS; NANOCRYSTALS; SEMICONDUCTOR DOPING; THIN FILMS; TITANIUM DIOXIDE;

EID: 84897986109     PISSN: 00976156     EISSN: 19475918     Source Type: Book Series    
DOI: 10.1021/bk-2013-1140.ch008     Document Type: Conference Paper
Times cited : (17)

References (65)
  • 1
    • 50149093649 scopus 로고    scopus 로고
    • Ab-initio simulations of materials using VASP: Density-functional theory and beyond
    • Hafner, J. Ab-initio simulations of materials using VASP: Density-functional theory and beyond. J Comput. Chem. 2008, 29 (13), 2044-2078
    • (2008) J Comput. Chem. , vol.29 , Issue.13 , pp. 2044-2078
    • Hafner, J.1
  • 2
    • 34249933172 scopus 로고    scopus 로고
    • Theoretical studies of photoinduced electron transfer in dye-sensitized Tio2
    • Duncan, W. R.; Prezhdo, O. V. Theoretical Studies of Photoinduced Electron Transfer in Dye-Sensitized TiO2. Annu. Rev. Phys. Chem. 2007, 58 (1), 143-184
    • (2007) Annu. Rev. Phys. Chem. , vol.58 , Issue.1 , pp. 143-184
    • Duncan, W.R.1    Prezhdo, O.V.2
  • 3
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
    • Kresse, G.; Furthmüller, J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput. Mater. Sci. 1996, 6, 15
    • (1996) Comput. Mater. Sci. , vol.6 , pp. 15
    • Kresse, G.1    Furthmüller, J.2
  • 4
    • 2442537377 scopus 로고    scopus 로고
    • Efficient iterative schemes for ab initio totalenergy calculations using a plane-wave basis set
    • Kresse, G.; Furthmüller, J. Efficient iterative schemes for ab initio totalenergy calculations using a plane-wave basis set. Phys. Rev. B 1996, 54, 11169
    • (1996) Phys. Rev. B , vol.54 , pp. 11169
    • Kresse, G.1    Furthmüller, J.2
  • 5
    • 35348875044 scopus 로고
    • Electrochemical photolysis of water at a semiconductor electrode
    • Fujishima, A. Electrochemical Photolysis of Water at a Semiconductor Electrode. Nature 1972, 238 (5358), 37-38
    • (1972) Nature , vol.238 , Issue.5358 , pp. 37-38
    • Fujishima, A.1
  • 6
    • 0006483573 scopus 로고
    • A low-cost, high-efficiency solar cell based on dyesensitized colloidal TiO2 films
    • O'Regan, B.; Grätzel, M. A low-cost, high-efficiency solar cell based on dyesensitized colloidal TiO2 films. Nature 1991, 353 (6346), 737-740
    • (1991) Nature , vol.353 , Issue.6346 , pp. 737-740
    • O'Regan, B.1    Grätzel, M.2
  • 7
    • 42149147896 scopus 로고    scopus 로고
    • The electronic origin of the visible-light absorption properties of c-, n- and s-doped tio2 nanomaterials
    • Xiaobo, C.; Burda, C. The Electronic Origin of the Visible-Light Absorption Properties of C-, N- and S-Doped TiO2 Nanomaterials. J. Am. Chem. Soc. 2008, 130 (15), 5018-5019
    • (2008) J. Am. Chem. Soc. , vol.130 , Issue.15 , pp. 5018-5019
    • Xiaobo, C.1    Burda, C.2
  • 9
    • 26944445822 scopus 로고    scopus 로고
    • Structural tuning of ligand-based two-electron intervalence charge transfer
    • Bachmann, J.; Nocera, D. G. Structural Tuning of Ligand-Based Two-Electron Intervalence Charge Transfer. Inorg. Chem. 2005, 44 (20), 6930-6932
    • (2005) Inorg. Chem. , vol.44 , Issue.20 , pp. 6930-6932
    • Bachmann, J.1    Nocera, D.G.2
  • 10
    • 11944264362 scopus 로고
    • Light-induced redox reactions in nanocrystalline systems
    • Hagfeldt, A.; Graetzel, M. Light-Induced Redox Reactions in Nanocrystalline Systems. Chem. Rev. 1995, 95 (1), 49-68
    • (1995) Chem. Rev. , vol.95 , Issue.1 , pp. 49-68
    • Hagfeldt, A.1    Graetzel, M.2
  • 11
    • 35949006225 scopus 로고
    • First-principles calculations of the energetics of stoichiometric TiO- {2} surfaces
    • Ramamoorthy, M.; Vanderbilt, D.; King-Smith, R. First-principles calculations of the energetics of stoichiometric TiO-{2} surfaces. Phys. Rev. B 1994, 49 (23), 16721
    • (1994) Phys. Rev. B , vol.49 , Issue.23 , pp. 16721
    • Ramamoorthy, M.1    Vanderbilt, D.2    King-Smith, R.3
  • 12
    • 0242459937 scopus 로고    scopus 로고
    • Dye-sensitized solar cells
    • Grätzel, M. Dye-sensitized solar cells. J. Photochem. Photobiol., C 2003, 4 (2), 145-153
    • (2003) J. Photochem. Photobiol., C , vol.4 , Issue.2 , pp. 145-153
    • Grätzel, M.1
  • 13
    • 0036799105 scopus 로고    scopus 로고
    • Kinetics of crystallization and crystal growth of nanocrystalline anatase in nanometer-sized amorphous titania
    • Zhang, H.; Banfield, J. F. Kinetics of crystallization and crystal growth of nanocrystalline anatase in nanometer-sized amorphous titania. Chem. Mater. 2002, 14 (10), 4145-4154
    • (2002) Chem. Mater. , vol.14 , Issue.10 , pp. 4145-4154
    • Zhang, H.1    Banfield, J.F.2
  • 14
    • 0000930082 scopus 로고    scopus 로고
    • Particle size effects on transformation kinetics and phase stability in nanocrystalline TiO2
    • Gribb, A. A.; Banfield, J. F. Particle size effects on transformation kinetics and phase stability in nanocrystalline TiO2. Am. Mineral. 1997, 82 (7), 717-728
    • (1997) Am. Mineral. , vol.82 , Issue.7 , pp. 717-728
    • Gribb, A.A.1    Banfield, J.F.2
  • 15
    • 0034895541 scopus 로고    scopus 로고
    • And energetics of stoichiometric TiO-{2} anatase surfaces
    • Lazzeri, M.; Vittadini, A.; Selloni, A. Structure and energetics of stoichiometric TiO- {2} anatase surfaces. Phys. Rev. B 2001, 63 (15), 155409
    • (2001) Phys. Rev. B , vol.63 , Issue.15 , pp. 155409
    • Lazzeri, M.1    Vittadini, A.2    Structure, S.A.3
  • 16
    • 0033216687 scopus 로고    scopus 로고
    • Heterogeneous photocatalysis: Transition metal ions in photocatalytic systems
    • Litter, M. I. Heterogeneous photocatalysis: transition metal ions in photocatalytic systems. Appl. Catal., B 1999, 23 (2), 89-114
    • (1999) Appl. Catal., B , vol.23 , Issue.2 , pp. 89-114
    • Litter, M.I.1
  • 17
    • 34548483001 scopus 로고    scopus 로고
    • Titanium dioxide for solar-hydrogen I. Functional properties
    • Nowotny, J.; Bak, T.; Nowotny, M. K.; Sheppard, L. R. Titanium dioxide for solar-hydrogen I. Functional properties. Int. J. Hydrogen Energy 2007, 32 (14), 2609-2629
    • (2007) Int. J. Hydrogen Energy , vol.32 , Issue.14 , pp. 2609-2629
    • Nowotny, J.1    Bak, T.2    Nowotny, M.K.3    Sheppard, L.R.4
  • 18
    • 0001154690 scopus 로고
    • Bulk and surface characterization of powder iron-doped titania photocatalysts
    • Navio, J.; Macias, M.; Gonzalez-Catalan, M.; Justo, A. Bulk and surface characterization of powder iron-doped titania photocatalysts. J. Mater. Sci. 1992, 27 (11), 3036-3042
    • (1992) J. Mater. Sci. , vol.27 , Issue.11 , pp. 3036-3042
    • Navio, J.1    Macias, M.2    Gonzalez-Catalan, M.3    Justo, A.4
  • 19
    • 0001626010 scopus 로고
    • Characterisation of iron/titanium oxide photocatalysts. Part 1.-Structural and magnetic studies
    • Bickley, R. I.; Lees, J. S.; Tilley, R. J. D.; Palmisano, L.; Schiavello, M. Characterisation of iron/titanium oxide photocatalysts. Part 1.-Structural and magnetic studies. J. Chem. Soc., Faraday Trans. 1992, 88 (3), 377-383
    • (1992) J. Chem. Soc., Faraday Trans. , vol.88 , Issue.3 , pp. 377-383
    • Bickley, R.I.1    Lees, J.S.2    Tilley, R.J.D.3    Palmisano, L.4    Schiavello, M.5
  • 20
    • 0034803121 scopus 로고    scopus 로고
    • Stoichiometric decomposition of water by titanium (IV) oxide photocatalyst synthesized in organic media: Effect of synthesis and irradiation conditions on photocatalytic activity
    • Kominami, H.; Murakami, S.; Kohno, M.; Kera, Y.; Okada, K.; Ohtani, B. Stoichiometric decomposition of water by titanium (IV) oxide photocatalyst synthesized in organic media: Effect of synthesis and irradiation conditions on photocatalytic activity. Phys. Chem. Chem. Phys. 2001, 3 (18), 4102-4106
    • (2001) Phys. Chem. Chem. Phys. , vol.3 , Issue.18 , pp. 4102-4106
    • Kominami, H.1    Murakami, S.2    Kohno, M.3    Kera, Y.4    Okada, K.5    Ohtani, B.6
  • 21
    • 0025747209 scopus 로고
    • Investigation of the mixed oxide materials: TiO2-SiO2, TiO2-SiO2-Al2O3, TiO2-SiO2-In2O3 and TiO2-SiO2-RuO2-in regard to the photoelectrolysis of water
    • Nair, M.; Rao, K.; Nair, C. Investigation of the mixed oxide materials: TiO2-SiO2, TiO2-SiO2-Al2O3, TiO2-SiO2-In2O3 and TiO2-SiO2-RuO2-in regard to the photoelectrolysis of water. Int. J. Hydrogen Energy 1991, 16 (7), 449-459
    • (1991) Int. J. Hydrogen Energy , vol.16 , Issue.7 , pp. 449-459
    • Nair, M.1    Rao, K.2    Nair, C.3
  • 23
    • 0001492376 scopus 로고
    • Catalytic properties of ruthenium oxide on n-type semiconductors under illumination
    • Sakata, T.; Hashimoto, K.; Kawai, T. Catalytic properties of ruthenium oxide on n-type semiconductors under illumination. J. Phys. Chem. 1984, 88 (22), 5214-5221
    • (1984) J. Phys. Chem. , vol.88 , Issue.22 , pp. 5214-5221
    • Sakata, T.1    Hashimoto, K.2    Kawai, T.3
  • 24
    • 65249169991 scopus 로고    scopus 로고
    • Potent antibacterial activities of Ag/TiO2 nanocomposite powders synthesized by a one-pot sol-gel method
    • Zhang, H.; Chen, G. Potent Antibacterial Activities of Ag/TiO2 Nanocomposite Powders Synthesized by a One-Pot Sol-Gel Method. Environ. Sci. Technol. 2009, 43 (8), 2905-2910
    • (2009) Environ. Sci. Technol. , vol.43 , Issue.8 , pp. 2905-2910
    • Zhang, H.1    Chen, G.2
  • 25
    • 33751275942 scopus 로고    scopus 로고
    • Photoelectrochemical study on charge transfer properties of Tio2-B nanowires with an application as humidity sensors
    • Wang, G.; Wang, Q.; Lu, W.; Li, J. Photoelectrochemical Study on Charge Transfer Properties of TiO2-B Nanowires with an Application as Humidity Sensors. J. Phys. Chem. B 2006, 110 (43), 22029-22034
    • (2006) J. Phys. Chem. B , vol.110 , Issue.43 , pp. 22029-22034
    • Wang, G.1    Wang, Q.2    Lu, W.3    Li, J.4
  • 26
    • 70349106738 scopus 로고    scopus 로고
    • Charge-transfer-induced surface-enhanced raman scattering on Ag-TiO2 nanocomposites
    • Yang, L.; Jiang, X.; Ruan, W.; Yang, J.; Zhao, B.; Xu, W.; Lombardi, J. R. Charge-Transfer-Induced Surface-Enhanced Raman Scattering on Ag-TiO2 Nanocomposites. J. Phys. Chem. C 2009, 113 (36), 16226-16231
    • (2009) J. Phys. Chem. C , vol.113 , Issue.36 , pp. 16226-16231
    • Yang, L.1    Jiang, X.2    Ruan, W.3    Yang, J.4    Zhao, B.5    Xu, W.6    Lombardi, J.R.7
  • 27
    • 0034299390 scopus 로고    scopus 로고
    • Sol-gel synthesis and characterization of Ag and Au nanoparticles in SiO2, TiO2, and ZrO2 thin films
    • Epifani, M.; Giannini, C.; Tapfer, T.; Vasanelli, L. Sol-gel synthesis and characterization of Ag and Au nanoparticles in SiO2, TiO2, and ZrO2 thin films. J. Am. Ceram. Soc. 2000, 83 (10), 2385-2393
    • (2000) J. Am. Ceram. Soc. , vol.83 , Issue.10 , pp. 2385-2393
    • Epifani, M.1    Giannini, C.2    Tapfer, T.3    Vasanelli, L.4
  • 28
    • 0036732047 scopus 로고    scopus 로고
    • Multiconfigurational nuclear-electronic orbital approach: Incorporation of nuclear quantum effects in electronic structure calculations
    • Webb, S. P.; Iordanov, T.; Hammes-Schiffer, S. Multiconfigurational nuclear-electronic orbital approach: Incorporation of nuclear quantum effects in electronic structure calculations. J. Chem. Phys. 2002, 117 (9), 4106-4118
    • (2002) J. Chem. Phys. , vol.117 , Issue.9 , pp. 4106-4118
    • Webb, S.P.1    Iordanov, T.2    Hammes-Schiffer, S.3
  • 29
    • 84883829682 scopus 로고    scopus 로고
    • Avoiding the Born-Oppenheimer separation between electrons and nuclei: Explicitly correlated wavefunctions and multicomponent density functional theory
    • Hammes-Schiffer, S. Avoiding the Born-Oppenheimer separation between electrons and nuclei: Explicitly correlated wavefunctions and multicomponent density functional theory. Abstracts of Papers of the American Chemical Society 2011, 242
    • (2011) Abstracts of Papers of the American Chemical Society , pp. 242
    • Hammes-Schiffer, S.1
  • 30
    • 13044304431 scopus 로고
    • Molecular dynamics with electronic transitions
    • Tully, J. C. Molecular dynamics with electronic transitions. J. Chem. Phys. 1990, 93 (2), 1061-1071
    • (1990) J. Chem. Phys. , vol.93 , Issue.2 , pp. 1061-1071
    • Tully, J.C.1
  • 31
    • 34147143932 scopus 로고    scopus 로고
    • Ab initio time-domain study of phonon-assisted relaxation of charge carriers in a PbSe quantum dot
    • Kilina, S. V.; Craig, C.; Kilin, D. S; Prezhdo, O. V. Ab initio time-domain study of phonon-assisted relaxation of charge carriers in a PbSe quantum dot. J. Phys. Chem. C 2007, 111 (12), 4871-4878
    • (2007) J. Phys. Chem. C , vol.111 , Issue.12 , pp. 4871-4878
    • Kilina, S.V.1    Craig, C.2    Kilin, D.S.3    Prezhdo, O.V.4
  • 32
    • 61849092033 scopus 로고    scopus 로고
    • Breaking the phonon bottleneck in pbse and cdse quantum dots: Time-domain density functional theory of charge carrier relaxation
    • Kilina, S. V.; Kilin, D. S.; Prezhdo, O. V. Breaking the Phonon Bottleneck in PbSe and CdSe Quantum Dots: Time-Domain Density Functional Theory of Charge Carrier Relaxation. ACS Nano 2009, 3 (1), 93-99
    • (2009) ACS Nano , vol.3 , Issue.1 , pp. 93-99
    • Kilina, S.V.1    Kilin, D.S.2    Prezhdo, O.V.3
  • 33
    • 80455158289 scopus 로고    scopus 로고
    • Theoretical study of electron-phonon relaxation in pbse and cdse quantum dots: Evidence for phonon memory
    • Kilina, S. V.; Kilin, D. S.; Prezhdo, V.; Prezhdo, O. V. Theoretical Study of Electron-Phonon Relaxation in PbSe and CdSe Quantum Dots: Evidence for Phonon Memory. J. Phys. Chem. C 2011, 115 (44), 21641-21651
    • (2011) J. Phys. Chem. C , vol.115 , Issue.44 , pp. 21641-21651
    • Kilina, S.V.1    Kilin, D.S.2    Prezhdo, V.3    Prezhdo, O.V.4
  • 34
    • 67649562189 scopus 로고    scopus 로고
    • Nonadiabatic molecular dynamics simulations of the energy transfer between building blocks in a phenylene ethynylene dendrimer
    • Fernandez-Alberti, S.; Kleinman, V. D.; Tretiak, S.; Roitberg, A. E. Nonadiabatic Molecular Dynamics Simulations of the Energy Transfer between Building Blocks in a Phenylene Ethynylene Dendrimer. J. Phys. Chem. A 2009, 113 (26), 7535-7542
    • (2009) J. Phys. Chem. A , vol.113 , Issue.26 , pp. 7535-7542
    • Fernandez-Alberti, S.1    Kleinman, V.D.2    Tretiak, S.3    Roitberg, A.E.4
  • 35
    • 77956818243 scopus 로고    scopus 로고
    • Unidirectional energy transfer in conjugated molecules: The crucial role of high-frequency c c bonds
    • Fernandez-Alberti, S.; Kleinman, V. D.; Tretiak, S.; Roitberg, A. E. Unidirectional Energy Transfer in Conjugated Molecules: The Crucial Role of High-Frequency C C Bonds. J. Phys. Chem. Lett. 2010, 1 (18), 2699-2704
    • (2010) J. Phys. Chem. Lett , vol.1 , Issue.18 , pp. 2699-2704
    • Fernandez-Alberti, S.1    Kleinman, V.D.2    Tretiak, S.3    Roitberg, A.E.4
  • 36
    • 79958200894 scopus 로고    scopus 로고
    • Nonadiabatic excited-state molecular dynamics modeling of photoinduced dynamics in conjugated molecules
    • Nelson, T.; Fernandez-Alberti, S.; Kleinman, V. D.; Roitberg, A. E.; Tretiak, S. Nonadiabatic Excited-State Molecular Dynamics Modeling of Photoinduced Dynamics in Conjugated Molecules. J. Phys. Chem. B 2011, 115 (18), 5402-5414
    • (2011) J. Phys. Chem. B , vol.115 , Issue.18 , pp. 5402-5414
    • Nelson, T.1    Fernandez-Alberti, S.2    Kleinman, V.D.3    Roitberg, A.E.4    Tretiak, S.5
  • 37
    • 84856703121 scopus 로고    scopus 로고
    • Nonadiabatic excited-state molecular dynamics: Numerical tests of convergence and parameters
    • Nelson, T.; Fernandez-Alberti, S.; Chernyak, V.; Roitberg, A. E.; Tretiak, S. Nonadiabatic excited-state molecular dynamics: Numerical tests of convergence and parameters. J. Chem. Phys. 2012, 136 (5), 054108
    • (2012) J. Chem. Phys. , vol.136 , Issue.5 , pp. 054108
    • Nelson, T.1    Fernandez-Alberti, S.2    Chernyak, V.3    Roitberg, A.E.4    Tretiak, S.5
  • 38
    • 0038202051 scopus 로고    scopus 로고
    • Quantum dynamics simulations of interfacial electron transfer in sensitized TiO2 semiconductors
    • Rego, L. G. C.; Batista, V. S. Quantum dynamics simulations of interfacial electron transfer in sensitized TiO2 semiconductors. J. Am. Chem. Soc. 2003, 125 (26), 7989-7997
    • (2003) J. Am. Chem. Soc. , vol.125 , Issue.26 , pp. 7989-7997
    • Rego, L.G.C.1    Batista, V.S.2
  • 39
    • 28844431580 scopus 로고    scopus 로고
    • Trajectory surface hopping in the time-dependent Kohn-Sham approach for electron-nuclear dynamics
    • Craig, C. F.; Duncan, W. R.; Prezhdo, O. V. Trajectory surface hopping in the time-dependent Kohn-Sham approach for electron-nuclear dynamics. Phys. Rev. Lett. 2005, 95 (16), 163001
    • (2005) Phys. Rev. Lett. , vol.95 , Issue.16 , pp. 163001
    • Craig, C.F.1    Duncan, W.R.2    Prezhdo, O.V.3
  • 40
    • 82255191957 scopus 로고    scopus 로고
    • Relaxation and dephasing in open quantum systems time-dependent density functional theory: Properties of exact functionals from an exactly-solvable model system
    • Tempel, D. G.; Aspuru-Guzik, A. Relaxation and dephasing in open quantum systems time-dependent density functional theory: Properties of exact functionals from an exactly-solvable model system. Chem. Phys. 2011, 391 (1), 130-142
    • (2011) Chem. Phys. , vol.391 , Issue.1 , pp. 130-142
    • Tempel, D.G.1    Aspuru-Guzik, A.2
  • 41
    • 84858960674 scopus 로고    scopus 로고
    • Exciton coherence lifetimes from electronic structure
    • Parkhill, J. A.; Tempel, D. G.; Aspuru-Guzik, A. Exciton coherence lifetimes from electronic structure. J. Chem. Phys. 2012, 136 (10), 104510
    • (2012) J. Chem. Phys. , vol.136 , Issue.10 , pp. 104510
    • Parkhill, J.A.1    Tempel, D.G.2    Aspuru-Guzik, A.3
  • 42
    • 0001913395 scopus 로고
    • On the theory of relaxation processes
    • Redfield, A. G. On the theory of relaxation processes. IBM J. Res. Dev. 1957, 1 (1), 19-31
    • (1957) IBM J. Res. Dev. , vol.1 , Issue.1 , pp. 19-31
    • Redfield, A.G.1
  • 43
    • 0042012699 scopus 로고    scopus 로고
    • Modeling of ultrafast electron-transfer processes: Validity of multilevel Redfield theory
    • Egorova, D.; Thoss, M.; Domcke, W.; Wang, H. Modeling of ultrafast electron-transfer processes: Validity of multilevel Redfield theory. J. Chem. Phys. 2003, 119 (5), 2761-2773
    • (2003) J. Chem. Phys. , vol.119 , Issue.5 , pp. 2761-2773
    • Egorova, D.1    Thoss, M.2    Domcke, W.3    Wang, H.4
  • 44
    • 36449005455 scopus 로고
    • Solution of the Redfield equation for the dissipative quantum dynamics of multilevel systems
    • Pollard, W. T.; Friesner, R. A. Solution of the Redfield equation for the dissipative quantum dynamics of multilevel systems. J. Chem. Phys. 1994, 100 (7), 5054-5065
    • (1994) J. Chem. Phys. , vol.100 , Issue.7 , pp. 5054-5065
    • Pollard, W.T.1    Friesner, R.A.2
  • 46
    • 0042901145 scopus 로고
    • Application of A multilevel Redfield theory to electron transfer in condensed phases
    • Jean, J. M.; Friesner, R. A.; Fleming, G. R. Application of A multilevel Redfield theory to electron transfer in condensed phases. J. Chem. Phys. 1992, 96 (8), 5827-5842
    • (1992) J. Chem. Phys. , vol.96 , Issue.8 , pp. 5827-5842
    • Jean, J.M.1    Friesner, R.A.2    Fleming, G.R.3
  • 47
    • 0000220848 scopus 로고    scopus 로고
    • Photosynthetic lightharvesting: Reconciling dynamics and structure of purple bacterial LH2 reveals function of photosynthetic unit
    • Sundstrom, V.; Pullerits, T.; van Grondelle, R. Photosynthetic lightharvesting: Reconciling dynamics and structure of purple bacterial LH2 reveals function of photosynthetic unit. J. Phys. Chem. B 1999, 103 (13), 2327-2346
    • (1999) J. Phys. Chem. B , vol.103 , Issue.13 , pp. 2327-2346
    • Sundstrom, V.1    Pullerits, T.2    Van Grondelle, R.3
  • 48
    • 36449003711 scopus 로고
    • Dissipative vibrational dynamics in a curve-crossing system
    • Kuhn, O.; May, V.; Schreiber, M. Dissipative vibrational dynamics in a curve-crossing system. J. Chem. Phys. 1994, 101 (12), 10404-10415
    • (1994) J. Chem. Phys. , vol.101 , Issue.12 , pp. 10404-10415
    • Kuhn, O.1    May, V.2    Schreiber, M.3
  • 49
    • 0031209440 scopus 로고    scopus 로고
    • Electron transfer rates in bridged molecular systems: A phenomenological approach to relaxation
    • Davis, W. B.; Wasielewski, M. R.; Ratner, M. A. Electron transfer rates in bridged molecular systems: A phenomenological approach to relaxation. J. Phys. Chem. A 1997, 101 (35), 6158-6164
    • (1997) J. Phys. Chem. A , vol.101 , Issue.35 , pp. 6158-6164
    • Davis, W.B.1    Wasielewski, M.R.2    Ratner, M.A.3
  • 50
    • 84975609208 scopus 로고
    • Statistics of Dephasing perturbations and relaxation processes in a high-power optical field application to free-induction decay
    • Apanasevich, P. A.; Kilin, S. Ya.; Nizovtsev, A. P.; Onischenko, N. S. Statistics of Dephasing perturbations and relaxation processes in a high-power optical field application to free-induction decay. J. Opt. Soc. Am. B, Opt. Phys. 1986, 3 (4), 587-594
    • (1986) J. Opt. Soc. Am. B, Opt. Phys. , vol.3 , Issue.4 , pp. 587-594
    • Apanasevich, P.A.1    Kilin, S.Ya.2    Nizovtsev, A.P.3    Onischenko, N.S.4
  • 51
    • 84863318070 scopus 로고    scopus 로고
    • Correlated electron dynamics in quantum-dot sensitized solar cell: Kadanoff-Baym versus Markovian approach
    • Kolesov, G.; Dahnovsky, Y. Correlated electron dynamics in quantum-dot sensitized solar cell: Kadanoff-Baym versus Markovian approach. Phys. Rev. B 2012, 85 (24), 241309
    • (2012) Phys. Rev. B , vol.85 , Issue.24 , pp. 241309
    • Kolesov, G.1    Dahnovsky, Y.2
  • 52
    • 77949741603 scopus 로고    scopus 로고
    • Relaxation of photoexcited electrons at a nanostructured si(111) surface
    • Kilin, D. S.; Micha, D. A. Relaxation of Photoexcited Electrons at a Nanostructured Si(111) Surface. J. Phys. Chem. Lett. 2010, 1 (7), 1073-1077
    • (2010) J. Phys. Chem. Lett. , vol.1 , Issue.7 , pp. 1073-1077
    • Kilin, D.S.1    Micha, D.A.2
  • 54
    • 0042113153 scopus 로고
    • Self-Consistent Equations Including Exchange Correlation Effects
    • Kohn, W.; Sham, L. J. Self-Consistent Equations Including Exchange and Correlation Effects. Phys. Rev. 1965, 140 (4A), 1133-1138
    • (1965) Phys. Rev. , vol.140 A , Issue.4 , pp. 1133-1138
    • Kohn, W.1    Sham, L.J.2
  • 56
    • 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
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 57
    • 4944232881 scopus 로고    scopus 로고
    • Erratum generalized gradient approximation made simple
    • Perdew, J. P.; Burke, K.; Ernzerhof, M. Erratum: Generalized gradient approximation made simple. Phys. Rev. Lett. 1997, 78, 1396
    • (1997) Phys. Rev. Lett. , vol.78 , pp. 1396
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 58
    • 77956685928 scopus 로고    scopus 로고
    • Self-energy and excitonic effects in the electronic and optical properties of TiO-{2} crystalline phases
    • Chiodo, L.; Garcia-Lastra, J. M.; Iakomino, A.; Ossicini, S.; Zhao, J.; Petek, H.; Rubio, A. Self-energy and excitonic effects in the electronic and optical properties of TiO-{2} crystalline phases. Phys. Rev. B 2010, 82 (4), 045207
    • (2010) Phys. Rev. B , vol.82 , Issue.4 , pp. 045207
    • Chiodo, L.1    Garcia-Lastra, J.M.2    Iakomino, A.3    Ossicini, S.4    Zhao, J.5    Petek, H.6    Rubio, A.7
  • 59
    • 84878065609 scopus 로고    scopus 로고
    • Photoinduced charge transfer from titania to surface doping site
    • Inerbaev, T. M.; Hoefelmeyer, J. D.; Kilin, D. S. Photoinduced Charge Transfer from Titania to Surface Doping Site. J. Phys. Chem. C 2013, 117, 9673-9692
    • (2013) J. Phys. Chem. C , vol.117 , pp. 9673-9692
    • Inerbaev, T.M.1    Hoefelmeyer, J.D.2    Kilin, D.S.3
  • 60
    • 84872172557 scopus 로고    scopus 로고
    • Covalent linking greatly enhances photoinduced electron transfer in fullerene-quantum dot nanocomposites: Time-domain ab initio study
    • Chaban, V. V.; Prezhdo, V. V.; Prezhdo, O. V. Covalent Linking Greatly Enhances Photoinduced Electron Transfer in Fullerene-Quantum Dot Nanocomposites: Time-Domain Ab Initio Study. J. Phys. Chem. Lett. 2013, 4, 1-6
    • (2013) J. Phys. Chem. Lett , vol.4 , pp. 1-6
    • Chaban, V.V.1    Prezhdo, V.V.2    Prezhdo, O.V.3
  • 61
    • 84869093777 scopus 로고    scopus 로고
    • Anatase (100 thin film surface computational model for photoelectrochemical cell
    • Jensen, S.; Kilin, D. Anatase (100) thin film surface computational model for photoelectrochemical cell. Int. J. Quantum Chem. 2012, 112, 3874-3878
    • (2012) Int. J. Quantum Chem. , vol.112 , pp. 3874-3878
    • Jensen, S.1    Kilin, D.2
  • 62
    • 84869093131 scopus 로고    scopus 로고
    • Computational modeling of wet TiO2 (001) anatase surfaces functionalized by transition metal doping
    • Zhang, Y.; Kilin, D. S. Computational modeling of wet TiO2 (001) anatase surfaces functionalized by transition metal doping. Int. J. Quantum Chem. 2012, 112, 3867
    • (2012) Int. J. Quantum Chem. , vol.112 , pp. 3867
    • Zhang, Y.1    Kilin, D.S.2
  • 63
    • 84866049708 scopus 로고    scopus 로고
    • Atomistic simulation of dissipative charge carrier dynamics for photocatalysis
    • (mrsf11), mrsf11-1390-i03-03
    • Inerbaev, T. M.; Kilin, D. S.; Hoefelmeyer, J. Atomistic Simulation of Dissipative Charge Carrier Dynamics for Photocatalysis. MRS Proc. 2012, 1390 (mrsf11), mrsf11-1390-i03-03
    • (2012) MRS Proc. , pp. 1390
    • Inerbaev, T.M.1    Kilin, D.S.2    Hoefelmeyer, J.3
  • 64
    • 84869081016 scopus 로고    scopus 로고
    • Sequential hydrogen dissociation from a charged Pt13H24 cluster modeled by ab initio molecular dynamics
    • Meng, Q.; et al. Sequential hydrogen dissociation from a charged Pt13H24 cluster modeled by ab initio molecular dynamics. Int. J. Quantum Chem. 2012, 112, 3896
    • (2012) Int. J. Quantum Chem. , vol.112 , pp. 3896
    • Meng, Q.1
  • 65
    • 34447514198 scopus 로고    scopus 로고
    • Time-domain ab initio study of charge relaxation and recombination in dye-sensitized TiO2
    • Duncan, W. R.; Craig, C. F.; Prezhdo, O. V. Time-domain ab initio study of charge relaxation and recombination in dye-sensitized TiO2. J. Am. Chem. Soc. 2007, 129 (27), 8528-8543.
    • (2007) J. Am. Chem. Soc. , vol.129 , Issue.27 , pp. 8528-8543
    • Duncan, W.R.1    Craig, C.F.2    Prezhdo, O.V.3


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