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Volumn 115, Issue 5, 2011, Pages 2134-2139

Confinement-induced polymerization of ethylene

Author keywords

[No Author keywords available]

Indexed keywords

CONFINEMENT EFFECTS; CONTROLLED POLYMERIZATION; DENSITY FUNCTIONAL THEORY CALCULATIONS; DIMERIZATION REACTIONS; ELECTRON DONORS; ETHYLENE MOLECULES; METAL SURFACES; MOLECULAR PROPERTIES; POLYMER CHAINS; RADICAL ANIONS; SURFACE SEPARATION;

EID: 79952663224     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp1097124     Document Type: Article
Times cited : (9)

References (37)
  • 1
    • 0034641210 scopus 로고    scopus 로고
    • Spectroscopic evidence in support of the molecular orbital confinement concept: Case of anthracene incorporated in zeolites [17]
    • DOI 10.1021/ja0003066
    • Marquez, F.; Garcia, H.; Palomares, E.; Fernandez, L.; Corma, A. Spectroscopic Evidence in Support of the Molecular Orbital Confinement Concept: Case of Anthracene Incorporated in Zeolites J. Am. Chem. Soc. 2000, 122, 6520-6521 (Pubitemid 30481765)
    • (2000) Journal of the American Chemical Society , vol.122 , Issue.27 , pp. 6520-6521
    • Marquez, F.1    Garcia, H.2    Palomares, E.3    Fernandez, L.4    Corma, A.5
  • 2
    • 0028531552 scopus 로고
    • Electronic Confinement of Molecules in Microscopic Pores. A New Concept Which Contributes to Explain the Catalytic Activity of Zeolites
    • Zicovich-Wilson, C. M.; Corma, A. Electronic Confinement of Molecules in Microscopic Pores. A New Concept Which Contributes To Explain the Catalytic Activity of Zeolites J. Phys. Chem. 1994, 98, 10863-10870
    • (1994) J. Phys. Chem. , vol.98 , pp. 10863-10870
    • Zicovich-Wilson, C.M.1    Corma, A.2
  • 3
    • 67049136061 scopus 로고    scopus 로고
    • Effect of confinement on oxygen adsorbed between Pt(111) surfaces
    • Ramirez-Caballero, G. E.; Balbuena, P. B. Effect of confinement on oxygen adsorbed between Pt(111) surfaces J. Phys. Chem. C 2009, 113, 7851-7856
    • (2009) J. Phys. Chem. C , vol.113 , pp. 7851-7856
    • Ramirez-Caballero, G.E.1    Balbuena, P.B.2
  • 5
    • 19944406351 scopus 로고
    • Remarks Concerning Molecular Interaction and Their Influence on the Polarisability
    • Michels, A.; Boer, J. D.; Bijl, A. Remarks Concerning Molecular Interaction and Their Influence on the Polarisability Physica 1937, 4, 981-994
    • (1937) Physica , vol.4 , pp. 981-994
    • Michels, A.1    Boer, J.D.2    Bijl, A.3
  • 6
    • 84987090088 scopus 로고
    • Accurate energy eigenvalues for enclosed hydrogen atom within spherical impenetrable boxes
    • Aquino, N. Accurate energy eigenvalues for enclosed hydrogen atom within spherical impenetrable boxes Int. J. Quantum Chem. 1995, 54, 107-115
    • (1995) Int. J. Quantum Chem. , vol.54 , pp. 107-115
    • Aquino, N.1
  • 8
    • 32044446264 scopus 로고    scopus 로고
    • Confined helium atom low-lying S states analyzed through correlated Hylleraas wave functions and the Kohn-Sham model
    • Aquino, N.; Garza, J.; Flores-Riveros, A.; Rivas-Silva, J. F.; Sen, K. D. Confined helium atom low-lying S states analyzed through correlated Hylleraas wave functions and the Kohn-Sham model J. Chem. Phys. 2006, 124, 054311
    • (2006) J. Chem. Phys. , vol.124 , pp. 054311
    • Aquino, N.1    Garza, J.2    Flores-Riveros, A.3    Rivas-Silva, J.F.4    Sen, K.D.5
  • 9
    • 0000253642 scopus 로고    scopus 로고
    • Activation of molecules in confined spaces: An approach to zeolite-guest supramolecular systems
    • Corma, A.; Garcia, H.; Sastre, G.; Viruela, P. M. Activation of Molecules in Confined Spaces: An Approach to Zeolite-Guest Supramolecular Systems J. Phys. Chem. B 1997, 101, 4575-4582 (Pubitemid 127596255)
    • (1997) Journal of Physical Chemistry B , vol.101 , Issue.23 , pp. 4575-4582
    • Corma, A.1    Garcia, H.2    Sastre, G.3    Viruela, P.M.4
  • 10
    • 84987055074 scopus 로고
    • On the quantum properties of adsorbed particles within the model of a hydrogen atom near a hard wall
    • Kovalenko, A. F.; Sovyak, E. N.; Holovko, M. F. On the quantum properties of adsorbed particles within the model of a hydrogen atom near a hard wall Int. J. Quantum Chem. 1992, 42, 321-337
    • (1992) Int. J. Quantum Chem. , vol.42 , pp. 321-337
    • Kovalenko, A.F.1    Sovyak, E.N.2    Holovko, M.F.3
  • 11
    • 70449431311 scopus 로고    scopus 로고
    • An XAS experimental approach to study low Pt content electrocatalysts operating in PEM fuel cells
    • Principi, E.; Witkowska, A.; Dsoke, S.; Marassi, R.; Di Cicco, A. An XAS experimental approach to study low Pt content electrocatalysts operating in PEM fuel cells Phys. Chem. Chem. Phys. 2009, 11, 9987-9995
    • (2009) Phys. Chem. Chem. Phys. , vol.11 , pp. 9987-9995
    • Principi, E.1    Witkowska, A.2    Dsoke, S.3    Marassi, R.4    Di Cicco, A.5
  • 13
    • 77956102458 scopus 로고    scopus 로고
    • Trapping a Diradical Transition State by Mechanochemical Polymer Extension
    • Lenhardt, J. M.; Ong, M. T.; Choe, R.; Evenhuis, C. R.; Martinez, T. J.; Craig, S. L. Trapping a Diradical Transition State by Mechanochemical Polymer Extension Science 2010, 329, 1057-1060
    • (2010) Science , vol.329 , pp. 1057-1060
    • Lenhardt, J.M.1    Ong, M.T.2    Choe, R.3    Evenhuis, C.R.4    Martinez, T.J.5    Craig, S.L.6
  • 15
    • 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
  • 16
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
    • DOI 10.1016/0927-0256(96)00008-0, PII S0927025696000080
    • 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 (Pubitemid 126412269)
    • (1996) Computational Materials Science , vol.6 , Issue.1 , pp. 15-50
    • Kresse, G.1    Furthmuller, J.2
  • 17
    • 35949007146 scopus 로고
    • Ab initio molecular dynamics for open-shell transition metals
    • Kresse, G.; Hafner, J. Ab initio molecular dynamics for open-shell transition metals Phys. Rev. B 1993, 48, 13115-13118
    • (1993) Phys. Rev. B , vol.48 , pp. 13115-13118
    • Kresse, G.1    Hafner, J.2
  • 18
    • 12844286241 scopus 로고
    • Ab initio molecular dynamics of liquid metals
    • Kresse, G.; Hafner, J. Ab initio molecular dynamics of liquid metals Phys. Rev. B 1993, 47, 558-561
    • (1993) Phys. Rev. B , vol.47 , pp. 558-561
    • Kresse, G.1    Hafner, J.2
  • 19
    • 25744460922 scopus 로고
    • Projector Augmented-Wave Method
    • Blochl, P. E. Projector Augmented-Wave Method Phys. Rev. B 1994, 50, 17953-17979
    • (1994) Phys. Rev. B , vol.50 , pp. 17953-17979
    • Blochl, P.E.1
  • 20
    • 4944232881 scopus 로고    scopus 로고
    • Generalized gradient approximation made simple
    • Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized gradient approximation made simple Phys. Rev. Lett. 1997, 78, 1396-1396
    • (1997) Phys. Rev. Lett. , vol.78 , pp. 1396-1396
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 22
    • 1842816907 scopus 로고
    • Special points for Brillouin-zone integrations
    • Monkhorst, H. J.; Pack, J. D. Special points for Brillouin-zone integrations Phys. Rev. B 1976, 13, 5188-5192
    • (1976) Phys. Rev. B , vol.13 , pp. 5188-5192
    • Monkhorst, H.J.1    Pack, J.D.2
  • 23
    • 0000720337 scopus 로고
    • High-precision sampling for Brillouin-zone integration in metals
    • Methfessel, M.; Paxton, A. T. High-precision sampling for Brillouin-zone integration in metals Phys. Rev. B 1989, 40, 3616-3621
    • (1989) Phys. Rev. B , vol.40 , pp. 3616-3621
    • Methfessel, M.1    Paxton, A.T.2
  • 24
    • 33745753520 scopus 로고    scopus 로고
    • A fast and robust algorithm for Bader decomposition of charge density
    • DOI 10.1016/j.commatsci.2005.04.010, PII S0927025605001849
    • Henkelman, G.; Arnaldsson, A.; Jónsson, H. A fast and robust algorithm for Bader decomposition of charge density Comput. Mater. Sci. 2006, 36, 354-360 (Pubitemid 44382438)
    • (2006) Computational Materials Science , vol.36 , Issue.3 , pp. 354-360
    • Henkelman, G.1    Arnaldsson, A.2    Jonsson, H.3
  • 26
    • 40149087053 scopus 로고    scopus 로고
    • Influence of confinement on atomic and molecular reactivity indicators in DFT
    • Borgoo, A.; Tozer, D. J.; Geerlings, P.; De Proft, F. Influence of confinement on atomic and molecular reactivity indicators in DFT Phys. Chem. Chem. Phys. 2008, 10, 1406-1410
    • (2008) Phys. Chem. Chem. Phys. , vol.10 , pp. 1406-1410
    • Borgoo, A.1    Tozer, D.J.2    Geerlings, P.3    De Proft, F.4
  • 28
    • 3342922319 scopus 로고
    • 2-Dimensional Ferromagnetism of 3D, 4D, and 5D Transition-Metal Monolayers on Noble-Metal (001) Substrates
    • Blugel, S. 2-Dimensional Ferromagnetism of 3D, 4D, and 5D Transition-Metal Monolayers on Noble-Metal (001) Substrates Phys. Rev. Lett. 1992, 68, 851-854
    • (1992) Phys. Rev. Lett. , vol.68 , pp. 851-854
    • Blugel, S.1
  • 29
    • 79955472414 scopus 로고
    • Ferromagnetism of 4D-Metal Monolayers on Ag, Au and Pd(001) Surfaces
    • Blugel, S. Ferromagnetism of 4D-Metal Monolayers on Ag, Au and Pd(001) Surfaces Europhys. Lett. 1992, 18, 257-262
    • (1992) Europhys. Lett. , vol.18 , pp. 257-262
    • Blugel, S.1
  • 30
    • 84956239118 scopus 로고
    • Ferromagnetism and Antiferromagnetism of 3D Metal Overlayers on Noble-Metal Substrates
    • Blugel, S.; Dederichs, P. H. Ferromagnetism and Antiferromagnetism of 3D Metal Overlayers on Noble-Metal Substrates Europhys. Lett. 1989, 9, 597-602
    • (1989) Europhys. Lett. , vol.9 , pp. 597-602
    • Blugel, S.1    Dederichs, P.H.2
  • 32
    • 0001154206 scopus 로고    scopus 로고
    • Adlayer core-level shifts of admetal monolayers on tranistion-metal substrates and their relation to the surface chemical reactivity
    • Hennig, D.; Ganduglia-Pirovano, M. V.; Scheffler, M. Adlayer core-level shifts of admetal monolayers on tranistion-metal substrates and their relation to the surface chemical reactivity Phys. Rev. B 1996, 53, 10344-10347
    • (1996) Phys. Rev. B , vol.53 , pp. 10344-10347
    • Hennig, D.1    Ganduglia-Pirovano, M.V.2    Scheffler, M.3
  • 33
    • 0001655275 scopus 로고    scopus 로고
    • An XPS Study of the Interaction of Ultrathin Cu Films with Pd(111)
    • Liu, G.; Clair, T. P. S.; Goodman, D. W. An XPS study of the interaction of ultrathin Cu films with Pd(111) J. Phys. Chem. B 1999, 103, 8578-8582 (Pubitemid 129613894)
    • (1999) Journal of Physical Chemistry B , vol.103 , Issue.40 , pp. 8578-8582
    • Liu, G.1    St. Clair, T.P.2    Goodman, D.W.3
  • 34
    • 77149172040 scopus 로고    scopus 로고
    • Surface segregation and stability of core-shell alloy catalysts for oxygen reduction in acid medium
    • Ramirez-Caballero, G. E.; Ma, Y.; Callejas-Tovar, R.; Balbuena, P. B. Surface segregation and stability of core-shell alloy catalysts for oxygen reduction in acid medium Phys. Chem. Chem. Phys. 2010, 12, 2209-2218
    • (2010) Phys. Chem. Chem. Phys. , vol.12 , pp. 2209-2218
    • Ramirez-Caballero, G.E.1    Ma, Y.2    Callejas-Tovar, R.3    Balbuena, P.B.4
  • 35
    • 34547655403 scopus 로고    scopus 로고
    • xSn/Pt(1 1 1) surface alloys: A comparative HREELS and DFT investigation
    • DOI 10.1016/j.susc.2007.06.037, PII S0039602807007005
    • Essen, J. M.; Haubrich, J.; Becker, C.; Wandelt, K. Adsorption of ethene on Pt(111) and ordered PtxSn/Pt(111) surface alloys: A comparative HREELS and DFT investigation Surf. Sci. 2007, 601, 3472-3480 (Pubitemid 47212283)
    • (2007) Surface Science , vol.601 , Issue.16 , pp. 3472-3480
    • Essen, J.M.1    Haubrich, J.2    Becker, C.3    Wandelt, K.4
  • 36
    • 27144434001 scopus 로고    scopus 로고
    • Surface-enhanced Raman spectroscopy study of ethylene adsorbed on a Pt electrode decorated with pt nanoparticles
    • DOI 10.1002/cphc.200500168
    • Gomez, R.; Solla-Gullon, J.; Perez, J. M.; Aldaz, A. Surface-enhanced Raman spectroscopy study of ethylene adsorbed on a Pt electrode decorated with Pt nanoparticles ChemPhysChem 2005, 6, 2017-2021 (Pubitemid 41503690)
    • (2005) ChemPhysChem , vol.6 , Issue.10 , pp. 2017-2021
    • Gomez, R.1    Solla-Gullon, J.2    Perez, J.M.3    Aldaz, A.4
  • 37
    • 12344288528 scopus 로고    scopus 로고
    • y) hydrocarbons on Pt(111) clusters and surfaces from DFT studies
    • y) hydrocarbons on Pt(111) clusters and surfaces from DFT studies J. Phys. Chem. B 2005, 109, 297-311
    • (2005) J. Phys. Chem. B , vol.109 , pp. 297-311
    • Jacob, T.1    Goddard, W.A.2


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