메뉴 건너뛰기




Volumn 10, Issue 2, 2016, Pages 2476-2484

Heterointerface Screening Effects between Organic Monolayers and Monolayer Transition Metal Dichalcogenides

Author keywords

energy level alignment; first principle calculations; organic inorganic interface; scanning tunneling microscopy spectroscopy; screening effects; two dimensional transition metal dichalcogenides

Indexed keywords

COMPOSITE FILMS; FLEXIBLE ELECTRONICS; GOLD; HYBRID MATERIALS; HYBRID SYSTEMS; MONOLAYERS; SCANNING TUNNELING MICROSCOPY; SELENIUM COMPOUNDS; SUBSTRATES; VAN DER WAALS FORCES;

EID: 84960157520     PISSN: 19360851     EISSN: 1936086X     Source Type: Journal    
DOI: 10.1021/acsnano.5b07314     Document Type: Article
Times cited : (106)

References (56)
  • 5
    • 84880836099 scopus 로고    scopus 로고
    • Extraordinary Sunlight Absorption and One Nanometer Thick Photovoltaics Using Two-Dimensional Monolayer Materials
    • Bernardi, M.; Palummo, M.; Grossman, J. C. Extraordinary Sunlight Absorption and One Nanometer Thick Photovoltaics Using Two-Dimensional Monolayer Materials Nano Lett. 2013, 13, 3664-3670 10.1021/nl401544y
    • (2013) Nano Lett. , vol.13 , pp. 3664-3670
    • Bernardi, M.1    Palummo, M.2    Grossman, J.C.3
  • 10
    • 84866429144 scopus 로고    scopus 로고
    • Large Excitonic Effects in Monolayers of Molybdenum and Tungsten Dichalcogenides
    • Ramasubramaniam, A. Large Excitonic Effects in Monolayers of Molybdenum and Tungsten Dichalcogenides Phys. Rev. B: Condens. Matter Mater. Phys. 2012, 86, 115409 10.1103/PhysRevB.86.115409
    • (2012) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.86 , pp. 115409
    • Ramasubramaniam, A.1
  • 17
    • 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 10.1103/PhysRevLett.97.216405
    • (2006) Phys. Rev. Lett. , vol.97 , pp. 216405
    • Neaton, J.B.1    Hybertsen, M.S.2    Louie, S.G.3
  • 18
  • 23
    • 33847758259 scopus 로고    scopus 로고
    • Vertical Bonding Distances of PTCDA on Au(111) and Ag(111): Relation to the Bonding Type
    • Henze, S. K. M.; Bauer, O.; Lee, T. L.; Sokolowski, M.; Tautz, F. S. Vertical Bonding Distances of PTCDA on Au(111) and Ag(111): Relation to the Bonding Type Surf. Sci. 2007, 601, 1566-1573 10.1016/j.susc.2007.01.020
    • (2007) Surf. Sci. , vol.601 , pp. 1566-1573
    • Henze, S.K.M.1    Bauer, O.2    Lee, T.L.3    Sokolowski, M.4    Tautz, F.S.5
  • 24
    • 33748928293 scopus 로고    scopus 로고
    • Scanning Tunneling and Photoemission Spectroscopies at the PTCDA/Au(111) Interface
    • Nicoara, N.; Román, E.; Gómez-Rodríguez, J. M.; Martín-Gago, J. A.; Méndez, J. Scanning Tunneling and Photoemission Spectroscopies at the PTCDA/Au(111) Interface Org. Electron. 2006, 7, 287-294 10.1016/j.orgel.2006.03.010
    • (2006) Org. Electron. , vol.7 , pp. 287-294
    • Nicoara, N.1    Román, E.2    Gómez-Rodríguez, J.M.3    Martín-Gago, J.A.4    Méndez, J.5
  • 25
    • 36449006485 scopus 로고
    • Observation and Modeling of Quasi-Epitaxial Growth of a Crystalline Organic Thin-Film
    • Burrows, P. E.; Zhang, Y.; Haskal, E. I.; Forrest, S. R. Observation and Modeling of Quasi-Epitaxial Growth of a Crystalline Organic Thin-Film Appl. Phys. Lett. 1992, 61, 2417-2419 10.1063/1.108183
    • (1992) Appl. Phys. Lett. , vol.61 , pp. 2417-2419
    • Burrows, P.E.1    Zhang, Y.2    Haskal, E.I.3    Forrest, S.R.4
  • 26
    • 67849084592 scopus 로고    scopus 로고
    • Room-Temperature Molecular-Resolution Characterization of Self-Assembled Organic Monolayers on Epitaxial Graphene
    • Wang, Q. H.; Hersam, M. C. Room-Temperature Molecular-Resolution Characterization of Self-Assembled Organic Monolayers on Epitaxial Graphene Nat. Chem. 2009, 1, 206-211 10.1038/nchem.212
    • (2009) Nat. Chem. , vol.1 , pp. 206-211
    • Wang, Q.H.1    Hersam, M.C.2
  • 27
    • 84903187877 scopus 로고    scopus 로고
    • Imaging Molecular Orbitals of PTCDA on Graphene on Pt(111): Electronic Structure by STM and First-Principles Calculations
    • Martínez-Galera, A. J.; Nicoara, N.; Martínez, J. I.; Dappe, Y. J.; Ortega, J.; Gómez-Rodríguez, J. M. Imaging Molecular Orbitals of PTCDA on Graphene on Pt(111): Electronic Structure by STM and First-Principles Calculations J. Phys. Chem. C 2014, 118, 12782-12788 10.1021/jp500768y
    • (2014) J. Phys. Chem. C , vol.118 , pp. 12782-12788
    • Martínez-Galera, A.J.1    Nicoara, N.2    Martínez, J.I.3    Dappe, Y.J.4    Ortega, J.5    Gómez-Rodríguez, J.M.6
  • 28
    • 73249132169 scopus 로고    scopus 로고
    • Structural and Electronic Properties of PTCDA Thin Films on Epitaxial Graphene
    • Huang, H.; Chen, S.; Gao, X.; Chen, W.; Wee, A. T. S. Structural and Electronic Properties of PTCDA Thin Films on Epitaxial Graphene ACS Nano 2009, 3, 3431-3436 10.1021/nn9008615
    • (2009) ACS Nano , vol.3 , pp. 3431-3436
    • Huang, H.1    Chen, S.2    Gao, X.3    Chen, W.4    Wee, A.T.S.5
  • 30
    • 33646855619 scopus 로고    scopus 로고
    • Valence Electronic Structure of Gas-Phase 3,4,9,10-Perylene Tetracarboxylic Acid Dianhydride: Experiment and Theory
    • Dori, N.; Menon, M.; Kilian, L.; Sokolowski, M.; Kronik, L.; Umbach, E. Valence Electronic Structure of Gas-Phase 3,4,9,10-Perylene Tetracarboxylic Acid Dianhydride: Experiment and Theory Phys. Rev. B: Condens. Matter Mater. Phys. 2006, 73, 195208 10.1103/PhysRevB.73.195208
    • (2006) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.73 , pp. 195208
    • Dori, N.1    Menon, M.2    Kilian, L.3    Sokolowski, M.4    Kronik, L.5    Umbach, E.6
  • 31
    • 81555213585 scopus 로고    scopus 로고
    • Barrier Height Formation for the PTCDA/Au (111) Interface
    • Martínez, J.; Abad, E.; Flores, F.; Ortega, J.; Brocks, G. Barrier Height Formation for the PTCDA/Au (111) Interface Chem. Phys. 2011, 390, 14-19 10.1016/j.chemphys.2011.09.018
    • (2011) Chem. Phys. , vol.390 , pp. 14-19
    • Martínez, J.1    Abad, E.2    Flores, F.3    Ortega, J.4    Brocks, G.5
  • 34
    • 33750559983 scopus 로고    scopus 로고
    • Semiempirical GGA-Type Density Functional Constructed with a Long-Range Dispersion Correction
    • Grimme, S. Semiempirical GGA-Type Density Functional Constructed with a Long-Range Dispersion Correction J. Comput. Chem. 2006, 27, 1787-99 10.1002/jcc.20495
    • (2006) J. Comput. Chem. , vol.27 , pp. 1787-1799
    • Grimme, S.1
  • 35
    • 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 10.1103/PhysRevLett.77.3865
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 36
    • 84858682572 scopus 로고    scopus 로고
    • Quasiparticle and Optical Spectroscopy of the Organic Semiconductors Pentacene and PTCDA from First Principles
    • Sharifzadeh, S.; Biller, A.; Kronik, L.; Neaton, J. B. Quasiparticle and Optical Spectroscopy of the Organic Semiconductors Pentacene and PTCDA from First Principles Phys. Rev. B: Condens. Matter Mater. Phys. 2012, 85, 125307 10.1103/PhysRevB.85.125307
    • (2012) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.85 , pp. 125307
    • Sharifzadeh, S.1    Biller, A.2    Kronik, L.3    Neaton, J.B.4
  • 37
    • 25544479230 scopus 로고
    • Electron Correlation in Semiconductors and Insulators: Band Gaps and Quasiparticle Energies
    • Hybertsen, M. S.; Louie, S. G. Electron Correlation in Semiconductors and Insulators: Band Gaps and Quasiparticle Energies Phys. Rev. B: Condens. Matter Mater. Phys. 1986, 34, 5390 10.1103/PhysRevB.34.5390
    • (1986) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.34 , pp. 5390
    • Hybertsen, M.S.1    Louie, S.G.2
  • 38
    • 22144469121 scopus 로고
    • Effects of Electron-Electron and Electron-Phonon Interactions on the One-Electron States of Solids
    • Hedin, L.; Lundqvist, S. Effects of Electron-Electron and Electron-Phonon Interactions on the One-Electron States of Solids Solid State Phys. 1970, 23, 1-181 10.1016/S0081-1947(08)60615-3
    • (1970) Solid State Phys. , vol.23 , pp. 1-181
    • Hedin, L.1    Lundqvist, S.2
  • 40
    • 84926678025 scopus 로고    scopus 로고
    • Reliable Energy Level Alignment at Physisorbed Molecule-Metal Interfaces from Density Functional Theory
    • Egger, D. A.; Liu, Z.-F.; Neaton, J. B.; Kronik, L. Reliable Energy Level Alignment at Physisorbed Molecule-Metal Interfaces from Density Functional Theory Nano Lett. 2015, 15, 2448-2455 10.1021/nl504863r
    • (2015) Nano Lett. , vol.15 , pp. 2448-2455
    • Egger, D.A.1    Liu, Z.-F.2    Neaton, J.B.3    Kronik, L.4
  • 42
    • 84901416918 scopus 로고    scopus 로고
    • First-principles Study of Quasiparticle Energies of a Bipolar Molecule in a Scanning Tunneling Microscope Measurement
    • Samsonidze, G.; Cohen, M. L.; Louie, S. G. First-principles Study of Quasiparticle Energies of a Bipolar Molecule in a Scanning Tunneling Microscope Measurement Comput. Mater. Sci. 2014, 91, 187-191 10.1016/j.commatsci.2014.04.049
    • (2014) Comput. Mater. Sci. , vol.91 , pp. 187-191
    • Samsonidze, G.1    Cohen, M.L.2    Louie, S.G.3
  • 43
    • 48249148315 scopus 로고    scopus 로고
    • Electronic Energy Levels of Weakly Coupled Nanostructures:C60-Metal Interfaces
    • Sau, J. D.; Neaton, J. B.; Choi, H. J.; Louie, S. G.; Cohen, M. L. Electronic Energy Levels of Weakly Coupled Nanostructures:C60-Metal Interfaces Phys. Rev. Lett. 2008, 101, 026804 10.1103/PhysRevLett.101.026804
    • (2008) Phys. Rev. Lett. , vol.101 , pp. 026804
    • Sau, J.D.1    Neaton, J.B.2    Choi, H.J.3    Louie, S.G.4    Cohen, M.L.5
  • 44
    • 0007083226 scopus 로고    scopus 로고
    • Quasiparticle Energies in Clusters Determined via Total-Energy Differences: Application to C60 and Na4
    • Cappellini, G.; Casula, F.; Yang, J.; Bechstedt, F. Quasiparticle Energies in Clusters Determined via Total-Energy Differences: Application to C60 and Na4 Phys. Rev. B: Condens. Matter Mater. Phys. 1997, 56, 3628 10.1103/PhysRevB.56.3628
    • (1997) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.56 , pp. 3628
    • Cappellini, G.1    Casula, F.2    Yang, J.3    Bechstedt, F.4
  • 45
    • 51149210200 scopus 로고
    • The Density Functional Formalism, Its Applications and Prospects
    • Jones, R. O.; Gunnarsson, O. The Density Functional Formalism, Its Applications and Prospects Rev. Mod. Phys. 1989, 61, 689-746 10.1103/RevModPhys.61.689
    • (1989) Rev. Mod. Phys. , vol.61 , pp. 689-746
    • Jones, R.O.1    Gunnarsson, O.2
  • 46
    • 4243732923 scopus 로고    scopus 로고
    • Dynamic Image Potential at an Al(111) Surface
    • White, I.; Godby, R.; Rieger, M.; Needs, R. Dynamic Image Potential at an Al(111) Surface Phys. Rev. Lett. 1998, 80, 4265 10.1103/PhysRevLett.80.4265
    • (1998) Phys. Rev. Lett. , vol.80 , pp. 4265
    • White, I.1    Godby, R.2    Rieger, M.3    Needs, R.4
  • 47
    • 84884898036 scopus 로고    scopus 로고
    • Electronic and Optical Gap Renormalization in Carbon Nanotubes Near a Metallic Surface
    • Spataru, C. D. Electronic and Optical Gap Renormalization in Carbon Nanotubes Near a Metallic Surface Phys. Rev. B: Condens. Matter Mater. Phys. 2013, 88, 125412 10.1103/PhysRevB.88.125412
    • (2013) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.88 , pp. 125412
    • Spataru, C.D.1
  • 48
    • 84865072579 scopus 로고    scopus 로고
    • Band Renormalization of a Polymer Physisorbed on Graphene Investigated by Many-Body Perturbation Theory
    • Puschnig, P.; Amiri, P.; Draxl, C. Band Renormalization of a Polymer Physisorbed on Graphene Investigated by Many-Body Perturbation Theory Phys. Rev. B: Condens. Matter Mater. Phys. 2012, 86, 085107 10.1103/PhysRevB.86.085107
    • (2012) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.86 , pp. 085107
    • Puschnig, P.1    Amiri, P.2    Draxl, C.3
  • 50
    • 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: Condens. Matter Mater. Phys. 1996, 54, 11169 10.1103/PhysRevB.54.11169
    • (1996) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.54 , pp. 11169
    • Kresse, G.1    Furthmüller, J.2
  • 51
    • 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, 15-50 10.1016/0927-0256(96)00008-0
    • (1996) Comput. Mater. Sci. , vol.6 , pp. 15-50
    • Kresse, G.1    Furthmüller, J.2
  • 52
    • 84857703319 scopus 로고    scopus 로고
    • BerkeleyGW: A Massively Parallel Computer Package for the Calculation of the Quasiparticle and Optical Properties of Materials and Nanostructures
    • Deslippe, J.; Samsonidze, G.; Strubbe, D. A.; Jain, M.; Cohen, M. L.; Louie, S. G. BerkeleyGW: A Massively Parallel Computer Package for the Calculation of the Quasiparticle and Optical Properties of Materials and Nanostructures Comput. Phys. Commun. 2012, 183, 1269-1289 10.1016/j.cpc.2011.12.006
    • (2012) Comput. Phys. Commun. , vol.183 , pp. 1269-1289
    • Deslippe, J.1    Samsonidze, G.2    Strubbe, D.A.3    Jain, M.4    Cohen, M.L.5    Louie, S.G.6
  • 54
    • 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: Condens. Matter Mater. Phys. 1981, 23, 5048 10.1103/PhysRevB.23.5048
    • (1981) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.23 , pp. 5048
    • Perdew, J.P.1    Zunger, A.2
  • 55
    • 84877056268 scopus 로고    scopus 로고
    • Coulomb-Hole Summations and Energies for GW Calculations with Limited Number of Empty Orbitals: A Modified Static Remainder Approach
    • Deslippe, J.; Samsonidze, G.; Jain, M.; Cohen, M. L.; Louie, S. G. Coulomb-Hole Summations and Energies for GW Calculations with Limited Number of Empty Orbitals: A Modified Static Remainder Approach Phys. Rev. B: Condens. Matter Mater. Phys. 2013, 87, 165124 10.1103/PhysRevB.87.165124
    • (2013) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.87 , pp. 165124
    • Deslippe, J.1    Samsonidze, G.2    Jain, M.3    Cohen, M.L.4    Louie, S.G.5
  • 56
    • 33751157732 scopus 로고
    • Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
    • Stephens, P.; Devlin, F.; Chabalowski, C.; Frisch, M. J. Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields J. Phys. Chem. 1994, 98, 11623-11627 10.1021/j100096a001
    • (1994) J. Phys. Chem. , vol.98 , pp. 11623-11627
    • Stephens, P.1    Devlin, F.2    Chabalowski, C.3    Frisch, M.J.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.