메뉴 건너뛰기




Volumn 10, Issue 5, 2014, Pages 2103-2113

Quasiparticle level alignment for photocatalytic interfaces

Author keywords

[No Author keywords available]

Indexed keywords


EID: 84900550797     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct500087v     Document Type: Article
Times cited : (62)

References (64)
  • 4
    • 36149016819 scopus 로고
    • New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem
    • Hedin, L. New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem Phys. Rev. 1965, 139, A796-A823
    • (1965) Phys. Rev. , vol.139
    • Hedin, L.1
  • 5
    • 0036057017 scopus 로고    scopus 로고
    • Electronic excitations: Density functional versus many-body Green's-function approaches
    • Onida, G.; Reining, L.; Rubio, A. Electronic excitations: Density functional versus many-body Green's-function approaches Rev. Mod. Phys. 2002, 74, 601-659
    • (2002) Rev. Mod. Phys. , vol.74 , pp. 601-659
    • Onida, G.1    Reining, L.2    Rubio, A.3
  • 6
    • 84874457622 scopus 로고    scopus 로고
    • Electronic excitations in light absorbers for photoelectrochemical energy conversion: First principles calculations based on many body perturbation theory
    • Ping, Y.; Rocca, D.; Galli, G. Electronic excitations in light absorbers for photoelectrochemical energy conversion: first principles calculations based on many body perturbation theory Chem. Soc. Rev. 2013, 42, 2437-2469
    • (2013) Chem. Soc. Rev. , vol.42 , pp. 2437-2469
    • Ping, Y.1    Rocca, D.2    Galli, G.3
  • 7
    • 0942299562 scopus 로고    scopus 로고
    • Image States and Excitons at Insulator Surfaces with Negative Electron Affinity
    • Rohlfing, M.; Wang, N.-P.; Krüger, P.; Pollmann, J. Image States and Excitons at Insulator Surfaces with Negative Electron Affinity Phys. Rev. Lett. 2003, 91, 256802
    • (2003) Phys. Rev. Lett. , vol.91 , pp. 256802
    • Rohlfing, M.1    Wang, N.-P.2    Krüger, P.3    Pollmann, J.4
  • 10
    • 84866060804 scopus 로고    scopus 로고
    • Quantitative Analysis of Valence Photoemission Spectra and Quasiparticle Excitations at Chromophore-Semiconductor Interfaces
    • Patrick, C. E.; Giustino, F. Quantitative Analysis of Valence Photoemission Spectra and Quasiparticle Excitations at Chromophore-Semiconductor Interfaces Phys. Rev. Lett. 2012, 109, 116801
    • (2012) Phys. Rev. Lett. , vol.109 , pp. 116801
    • Patrick, C.E.1    Giustino, F.2
  • 11
    • 68849127886 scopus 로고    scopus 로고
    • Controlling Polarization at Insulating Surfaces: Quasiparticle Calculations for Molecules Adsorbed on Insulator Films
    • Freysoldt, C.; Rinke, P.; Scheffler, M. Controlling Polarization at Insulating Surfaces: Quasiparticle Calculations for Molecules Adsorbed on Insulator Films Phys. Rev. Lett. 2009, 103, 056803
    • (2009) Phys. Rev. Lett. , vol.103 , pp. 056803
    • Freysoldt, C.1    Rinke, P.2    Scheffler, M.3
  • 12
    • 33751318708 scopus 로고    scopus 로고
    • Renormalization of Molecular Electronic Levels at Metal-Molecule Interfaces
    • Neaton, J. B.; Hybertsen, M. S.; Louie, S. G. Renormalization of Molecular Electronic Levels at Metal-Molecule Interfaces Phys. Rev. Lett. 2006, 97, 216405
    • (2006) Phys. Rev. Lett. , vol.97 , pp. 216405
    • Neaton, J.B.1    Hybertsen, M.S.2    Louie, S.G.3
  • 13
    • 77953593444 scopus 로고    scopus 로고
    • Polarization-induced renormalization of molecular levels at metallic and semiconducting surfaces
    • Garcia-Lastra, J. M.; Rostgaard, C.; Rubio, A.; Thygesen, K. S. Polarization-induced renormalization of molecular levels at metallic and semiconducting surfaces Phys. Rev. B 2009, 80, 245427
    • (2009) Phys. Rev. B , vol.80 , pp. 245427
    • Garcia-Lastra, J.M.1    Rostgaard, C.2    Rubio, A.3    Thygesen, K.S.4
  • 20
    • 34250753067 scopus 로고
    • Photocatalytic hydrogen production from liquid methanol and water
    • Kawai, T.; Sakata, T. Photocatalytic hydrogen production from liquid methanol and water J. Chem. Soc., Chem. Commun. 1980, 694-695
    • (1980) J. Chem. Soc., Chem. Commun. , pp. 694-695
    • Kawai, T.1    Sakata, T.2
  • 21
    • 35348875044 scopus 로고
    • Electrochemical Photolysis of Water at a Semiconductor Electrode
    • Fujishima, A.; Honda, K. Electrochemical Photolysis of Water at a Semiconductor Electrode Nature 1972, 238, 37-38
    • (1972) Nature , vol.238 , pp. 37-38
    • Fujishima, A.1    Honda, K.2
  • 24
    • 33644863184 scopus 로고    scopus 로고
    • Ultrafast Interfacial Proton-Coupled Electron Transfer
    • Li, B.; Zhao, J.; Onda, K.; Jordan, K. D.; Yang, J.; Petek, H. Ultrafast Interfacial Proton-Coupled Electron Transfer Science 2006, 311, 1436-1440
    • (2006) Science , vol.311 , pp. 1436-1440
    • Li, B.1    Zhao, J.2    Onda, K.3    Jordan, K.D.4    Yang, J.5    Petek, H.6
  • 30
    • 33745784821 scopus 로고    scopus 로고
    • Implementation and performance of the frequency-dependent GW method within the PAW framework
    • Shishkin, M.; Kresse, G. Implementation and performance of the frequency-dependent GW method within the PAW framework Phys. Rev. B 2006, 74, 035101
    • (2006) Phys. Rev. B , vol.74 , pp. 035101
    • Shishkin, M.1    Kresse, G.2
  • 33
    • 37249050372 scopus 로고    scopus 로고
    • Accurate Quasiparticle Spectra from Self-Consistent GW Calculations with Vertex Corrections
    • Shishkin, M.; Marsman, M.; Kresse, G. Accurate Quasiparticle Spectra from Self-Consistent GW Calculations with Vertex Corrections Phys. Rev. Lett. 2007, 99, 246403
    • (2007) Phys. Rev. Lett. , vol.99 , pp. 246403
    • Shishkin, M.1    Marsman, M.2    Kresse, G.3
  • 34
    • 34347372420 scopus 로고    scopus 로고
    • Self-consistent GW calculations for semiconductors and insulators
    • Shishkin, M.; Kresse, G. Self-consistent GW calculations for semiconductors and insulators Phys. Rev. B 2007, 75, 235102
    • (2007) Phys. Rev. B , vol.75 , pp. 235102
    • Shishkin, M.1    Kresse, G.2
  • 35
    • 26144450583 scopus 로고
    • Self-interaction correction to density-functional approximations for many-electron systems
    • Perdew, J. P.; Zunger, A. Self-interaction correction to density-functional approximations for many-electron systems Phys. Rev. B 1981, 23, 5048-5079
    • (1981) Phys. Rev. B , vol.23 , pp. 5048-5079
    • Perdew, J.P.1    Zunger, A.2
  • 36
    • 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
  • 37
    • 0037799714 scopus 로고    scopus 로고
    • Hybrid functionals based on a screened Coulomb potential
    • Heyd, J.; Scuseria, G. E.; Ernzerhof, M. Hybrid functionals based on a screened Coulomb potential J. Chem. Phys. 2003, 118, 8207-8215
    • (2003) J. Chem. Phys. , vol.118 , pp. 8207-8215
    • Heyd, J.1    Scuseria, G.E.2    Ernzerhof, M.3
  • 38
    • 36149008514 scopus 로고
    • Optical Properties and Band Structure of Wurtzite-Type Crystals and Rutile
    • Cardona, M.; Harbeke, G. Optical Properties and Band Structure of Wurtzite-Type Crystals and Rutile Phys. Rev. 1965, 137, A1467-A1476
    • (1965) Phys. Rev. , vol.137
    • Cardona, M.1    Harbeke, G.2
  • 39
    • 0033645688 scopus 로고    scopus 로고
    • 2 dielectric tensor from 0.148 to 33 μm using generalized ellipsometry
    • 2 dielectric tensor from 0.148 to 33 μm using generalized ellipsometry Proc. SPIE 2000, 4103, 19-29
    • (2000) Proc. SPIE , vol.4103 , pp. 19-29
    • Tiwald, T.E.1    Schubert, M.2
  • 42
    • 84860375784 scopus 로고    scopus 로고
    • Surface photochemistry probed by two-photon photoemission spectroscopy
    • Zhou, C.; Ma, Z.; Ren, Z.; Wodtke, A. M.; Yang, X. Surface photochemistry probed by two-photon photoemission spectroscopy Energy Environ. Sci. 2012, 5, 6833-6844
    • (2012) Energy Environ. Sci. , vol.5 , pp. 6833-6844
    • Zhou, C.1    Ma, Z.2    Ren, Z.3    Wodtke, A.M.4    Yang, X.5
  • 43
    • 84865103447 scopus 로고    scopus 로고
    • Unified description of ground and excited states of finite systems: The self-consistent GW approach
    • Caruso, F.; Rinke, P.; Ren, X.; Scheffler, M.; Rubio, A. Unified description of ground and excited states of finite systems: The self-consistent GW approach Phys. Rev. B 2012, 86, 081102
    • (2012) Phys. Rev. B , vol.86 , pp. 081102
    • Caruso, F.1    Rinke, P.2    Ren, X.3    Scheffler, M.4    Rubio, A.5
  • 44
    • 84878516905 scopus 로고    scopus 로고
    • Strong Renormalization of the Electronic Band Gap due to Lattice Polarization in the GW Formalism
    • Botti, S.; Marques, M. A. L. Strong Renormalization of the Electronic Band Gap due to Lattice Polarization in the GW Formalism Phys. Rev. Lett. 2013, 110, 226404
    • (2013) Phys. Rev. Lett. , vol.110 , pp. 226404
    • Botti, S.1    Marques, M.A.L.2
  • 49
    • 0037060307 scopus 로고    scopus 로고
    • Excitonic Effects in Solids Described by Time-Dependent Density-Functional Theory
    • Reining, L.; Olevano, V.; Rubio, A.; Onida, G. Excitonic Effects in Solids Described by Time-Dependent Density-Functional Theory Phys. Rev. Lett. 2002, 88, 066404
    • (2002) Phys. Rev. Lett. , vol.88 , pp. 066404
    • Reining, L.1    Olevano, V.2    Rubio, A.3    Onida, G.4
  • 50
    • 0011236321 scopus 로고    scopus 로고
    • From ultrasoft pseudopotentials to the projector augmented-wave method
    • Kresse, G.; Joubert, D. From ultrasoft pseudopotentials to the projector augmented-wave method Phys. Rev. B 1999, 59, 1758
    • (1999) Phys. Rev. B , vol.59 , pp. 1758
    • Kresse, G.1    Joubert, D.2
  • 51
    • 2442537377 scopus 로고    scopus 로고
    • Efficient iterative schemes for ab initio total energy calculations using a plane-wave basis set
    • Kresse, G.; Furthmüller, J. Efficient iterative schemes for ab initio total energy 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
  • 52
    • 15444377222 scopus 로고    scopus 로고
    • Real-space grid implementation of the projector augmented wave method
    • Mortensen, J. J.; Hansen, L. B.; Jacobsen, K. W. Real-space grid implementation of the projector augmented wave method Phys. Rev. B 2005, 71, 035109
    • (2005) Phys. Rev. B , vol.71 , pp. 035109
    • Mortensen, J.J.1    Hansen, L.B.2    Jacobsen, K.W.3
  • 54
    • 33845281352 scopus 로고
    • Structural-electronic relationships in inorganic solids: Powder neutron diffraction studies of the rutile and anatase polymorphs of titanium dioxide at 15 and 295 K
    • Burdett, J. K.; Hughbanks, T.; Miller, G. J.; Richardson, J. W.; Smith, J. V. Structural-electronic relationships in inorganic solids: powder neutron diffraction studies of the rutile and anatase polymorphs of titanium dioxide at 15 and 295 K J. Am. Chem. Soc. 1987, 109, 3639-3646
    • (1987) J. Am. Chem. Soc. , vol.109 , pp. 3639-3646
    • Burdett, J.K.1    Hughbanks, T.2    Miller, G.J.3    Richardson, J.W.4    Smith, J.V.5
  • 58
    • 0000964685 scopus 로고
    • Low energy electron diffraction and electron spectroscopy studies of the clean (110) and (100) titanium dioxide (rutile) crystal surfaces
    • Chung, Y. W.; Lo, W. J.; Somorjai, G. A. Low energy electron diffraction and electron spectroscopy studies of the clean (110) and (100) titanium dioxide (rutile) crystal surfaces Surf. Sci. 1977, 64, 588-602
    • (1977) Surf. Sci. , vol.64 , pp. 588-602
    • Chung, Y.W.1    Lo, W.J.2    Somorjai, G.A.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.