메뉴 건너뛰기




Volumn 118, Issue 34, 2014, Pages 19688-19700

CO adsorption on Pd(100) revisited by sum frequency generation: Evidence for two adsorption sites in the compression stage

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONS; LOW ENERGY ELECTRON DIFFRACTION; PALLADIUM; ADSORPTION; DOPPLER EFFECT; INTERFEROMETRY; TIME DOMAIN ANALYSIS;

EID: 84906861616     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp500912p     Document Type: Article
Times cited : (16)

References (58)
  • 1
    • 36749119582 scopus 로고
    • Collective Vibrational Modes of Adsorbed CO
    • Mahan, G. D.; Lucas, A. A. Collective Vibrational Modes of Adsorbed CO J. Chem. Phys. 1978, 68, 1344-1348
    • (1978) J. Chem. Phys. , vol.68 , pp. 1344-1348
    • Mahan, G.D.1    Lucas, A.A.2
  • 2
    • 0001273673 scopus 로고
    • An Infrared Study of CO Adsorption on Pt(111)
    • Olsen, C. W.; Masel, R. I. An Infrared Study of CO Adsorption on Pt(111) Surf. Sci. 1988, 201, 444
    • (1988) Surf. Sci. , vol.201 , pp. 444
    • Olsen, C.W.1    Masel, R.I.2
  • 4
    • 0031342547 scopus 로고    scopus 로고
    • Chemisorbed on Pt Anomalous Compared with Ni and Pd? An Example of Surface Chemistry Dominated by Relativistic Effects
    • Pacchioni, G.; Chung, S.-C.; Krüger, S.; Rösch, N.; Is, C. O. Chemisorbed on Pt Anomalous Compared with Ni and Pd? An Example of Surface Chemistry Dominated by Relativistic Effects Surf. Sci. 1997, 392, 173-184
    • (1997) Surf. Sci. , vol.392 , pp. 173-184
    • Pacchioni, G.1    Chung, S.-C.2    Krüger, S.3    Rösch, N.4    Is, C.O.5
  • 5
    • 58049165194 scopus 로고    scopus 로고
    • CO Oxidation Trends on Pt-group Metals from Ultrahigh Vacuum to Near Atmospheric Pressures: A Combined In-Situ PM-IRAS and Reaction Kinetics Study
    • Gao, F.; McClure, S. M.; Cai, Y.; Gath, K. K.; Wang, Y.; Chen, M. S.; Guo, Q. L.; Goodman, D. W. CO Oxidation Trends on Pt-group Metals from Ultrahigh Vacuum to Near Atmospheric Pressures: A Combined In-Situ PM-IRAS and Reaction Kinetics Study Surf. Sci. 2009, 603, 65-70
    • (2009) Surf. Sci. , vol.603 , pp. 65-70
    • Gao, F.1    McClure, S.M.2    Cai, Y.3    Gath, K.K.4    Wang, Y.5    Chen, M.S.6    Guo, Q.L.7    Goodman, D.W.8
  • 6
    • 58549120169 scopus 로고    scopus 로고
    • New Insights into Catalytic CO Oxidation on Pt-Group Metals at Elevated Pressures
    • McClure, S. M.; Goodman, D. W. New Insights into Catalytic CO Oxidation on Pt-Group Metals at Elevated Pressures Chem. Phys. Lett. 2009, 469, 1-13
    • (2009) Chem. Phys. Lett. , vol.469 , pp. 1-13
    • McClure, S.M.1    Goodman, D.W.2
  • 7
    • 84860231439 scopus 로고    scopus 로고
    • The Influence of Surface Defects in Methanol Dissociative Adsorption and CO Oxidation on Pt(110) Probed by Nonlinear Vibrational SFG Spectroscopy
    • Vidal, F.; Tadjeddine, A.; Humbert, C.; Dreesen, L.; Peremans, A.; Thiry, P. A.; Busson, B. The Influence of Surface Defects in Methanol Dissociative Adsorption and CO Oxidation on Pt(110) Probed by Nonlinear Vibrational SFG Spectroscopy J. Electroanal. Chem. 2012, 672, 1-6
    • (2012) J. Electroanal. Chem. , vol.672 , pp. 1-6
    • Vidal, F.1    Tadjeddine, A.2    Humbert, C.3    Dreesen, L.4    Peremans, A.5    Thiry, P.A.6    Busson, B.7
  • 8
    • 33947485056 scopus 로고
    • Molecular Orbital View of Chemisorbed Carbon Monoxide
    • Blyholder, G. Molecular Orbital View of Chemisorbed Carbon Monoxide J. Phys. Chem. 1964, 68, 2772-2777
    • (1964) J. Phys. Chem. , vol.68 , pp. 2772-2777
    • Blyholder, G.1
  • 9
    • 36849104333 scopus 로고
    • Structural Influences on Adsorbate Binding Energy. I. Carbon Monoxide on (100) Palladium
    • Tracy, J. C.; Palmberg, P. W. Structural Influences on Adsorbate Binding Energy. I. Carbon Monoxide on (100) Palladium J. Chem. Phys. 1969, 51, 4852
    • (1969) J. Chem. Phys. , vol.51 , pp. 4852
    • Tracy, J.C.1    Palmberg, P.W.2
  • 12
    • 0001772315 scopus 로고
    • The Adsorption of CO on Pd(100) Studied by IR Reflection Absorption Spectroscopy
    • Ortega, A.; Hoffman, F. M.; Bradshaw, A. M. The Adsorption of CO on Pd(100) Studied by IR Reflection Absorption Spectroscopy Surf. Sci. 1982, 119, 79-94
    • (1982) Surf. Sci. , vol.119 , pp. 79-94
    • Ortega, A.1    Hoffman, F.M.2    Bradshaw, A.M.3
  • 13
    • 84957227474 scopus 로고
    • CO Adsorption on Pd(111) and Pd(100): Low and High Pressure Correlations
    • Szanyi, J.; Kuhn, W. K.; Goodman, D. W. CO Adsorption on Pd(111) and Pd(100): Low and High Pressure Correlations J. Vac. Sci. Technol. A 1993, 11, 1969-1974
    • (1993) J. Vac. Sci. Technol. A , vol.11 , pp. 1969-1974
    • Szanyi, J.1    Kuhn, W.K.2    Goodman, D.W.3
  • 14
    • 33751158479 scopus 로고
    • A Comparative Study of the Coadsorption of CO and NO on Pd(100), Pd(111), and Silica-Supported Palladium Particles with Infrared Reflection-Absorption Spectroscopy
    • Xu, X.; Chen, P.; Goodman, D. W. A Comparative Study of the Coadsorption of CO and NO on Pd(100), Pd(111), and Silica-Supported Palladium Particles with Infrared Reflection-Absorption Spectroscopy J. Phys. Chem. 1994, 98, 9242-9246
    • (1994) J. Phys. Chem. , vol.98 , pp. 9242-9246
    • Xu, X.1    Chen, P.2    Goodman, D.W.3
  • 15
    • 0030145011 scopus 로고    scopus 로고
    • FTIR Studies of the Adsorption of CO on Supported Metallic Clusters Pd/MgO(100)
    • Goyhenex, C.; Croci, M.; Claeys, C.; Henry, C. R. FTIR Studies of the Adsorption of CO on Supported Metallic Clusters Pd/MgO(100) Surf. Sci. 1996, 352, 475-479
    • (1996) Surf. Sci. , vol.352 , pp. 475-479
    • Goyhenex, C.1    Croci, M.2    Claeys, C.3    Henry, C.R.4
  • 16
    • 0031139874 scopus 로고    scopus 로고
    • 3 Thin Films: An Infrared Reflection Aabsorption Spectroscopy Study of Monometallic and Bimetallic Planar Model Supported Catalysts
    • 3 Thin Films: An Infrared Reflection Aabsorption Spectroscopy Study of Monometallic and Bimetallic Planar Model Supported Catalysts J. Vac. Sci. Technol. A 1997, 15, 1653
    • (1997) J. Vac. Sci. Technol. A , vol.15 , pp. 1653
    • Rainer, D.R.1    Xu, C.2    Holmblad, P.M.3    Goodman, D.W.4
  • 17
    • 0034693688 scopus 로고    scopus 로고
    • Complex Model Catalysts under UHV and High Pressure Conditions: CO Adsorption and Oxidation on Alumina-Supported Pd Particles
    • Dellwig, T.; Hartmann, J.; Libuda, J.; Meusel, I.; Rupprechter, G.; Unterhalt, H.; Freund, H.-J. Complex Model Catalysts under UHV and High Pressure Conditions: CO Adsorption and Oxidation on Alumina-Supported Pd Particles J. Mol. Catal. A 2000, 162, 51-66
    • (2000) J. Mol. Catal. A , vol.162 , pp. 51-66
    • Dellwig, T.1    Hartmann, J.2    Libuda, J.3    Meusel, I.4    Rupprechter, G.5    Unterhalt, H.6    Freund, H.-J.7
  • 18
    • 0004700688 scopus 로고    scopus 로고
    • Nucleation and Growth of Supported Clusters at Defect Sites: Pd/MgO(001)
    • Haas, G.; Menck, A.; Brune, H.; Barth, J. V.; Venables, J. A.; Kern, K. Nucleation and Growth of Supported Clusters at Defect Sites: Pd/MgO(001) Phys. Rev. B 2000, 61, 11105-11108
    • (2000) Phys. Rev. B , vol.61 , pp. 11105-11108
    • Haas, G.1    Menck, A.2    Brune, H.3    Barth, J.V.4    Venables, J.A.5    Kern, K.6
  • 24
    • 0009585507 scopus 로고
    • The Chemisorption of Carbon Monoxide on Palladium Single Crystal Surfaces: IR Spectroscopic Evidence for Localised Site Adsorption
    • Bradshaw, A. M.; Hoffman, F. M. The Chemisorption of Carbon Monoxide on Palladium Single Crystal Surfaces: IR Spectroscopic Evidence for Localised Site Adsorption Surf. Sci. 1978, 72, 513-535
    • (1978) Surf. Sci. , vol.72 , pp. 513-535
    • Bradshaw, A.M.1    Hoffman, F.M.2
  • 25
    • 0033537783 scopus 로고    scopus 로고
    • Dependence of Stretching Frequency on Surface Coverage and Adsorbate-Adsorbate Interactions: A Density-Functional Theory Approach of CO on Pd (111)
    • Loffreda, D.; Simon, D.; Sautet, P. Dependence of Stretching Frequency on Surface Coverage and Adsorbate-Adsorbate Interactions: A Density-Functional Theory Approach of CO on Pd (111) Surf. Sci. 1999, 425, 68-80
    • (1999) Surf. Sci. , vol.425 , pp. 68-80
    • Loffreda, D.1    Simon, D.2    Sautet, P.3
  • 27
    • 80455131210 scopus 로고    scopus 로고
    • Sum-Frequency Generation Vibrational Spectroscopy of an Extramolecular Chemical Bond
    • Humbert, C.; Tadjeddine, A.; Busson, B. Sum-Frequency Generation Vibrational Spectroscopy of an Extramolecular Chemical Bond J. Phys. Chem. Lett. 2011, 2, 2770-2773
    • (2011) J. Phys. Chem. Lett. , vol.2 , pp. 2770-2773
    • Humbert, C.1    Tadjeddine, A.2    Busson, B.3
  • 28
    • 0026946057 scopus 로고
    • The Contribution of Metal sp Electrons to the Chemisorption of CO - Theoretical-Studies of CO on Li, Na, and Cu
    • Bagus, P.; Pacchioni, G. The Contribution of Metal sp Electrons to the Chemisorption of CO-Theoretical-Studies of CO on Li, Na, and Cu Surf. Sci. 1992, 278, 427-436
    • (1992) Surf. Sci. , vol.278 , pp. 427-436
    • Bagus, P.1    Pacchioni, G.2
  • 29
    • 3342922611 scopus 로고    scopus 로고
    • CO Chemisorption at Metal Surfaces and Overlayers
    • Hammer, B.; Morikawa, Y.; Norskov, J. CO Chemisorption at Metal Surfaces and Overlayers Phys. Rev. Lett. 1999, 76, 2141-2144
    • (1999) Phys. Rev. Lett. , vol.76 , pp. 2141-2144
    • Hammer, B.1    Morikawa, Y.2    Norskov, J.3
  • 30
    • 33645508964 scopus 로고    scopus 로고
    • Theoretical Surface Science and Catalysis - Calculations and Concepts
    • Gates, B. C. Knozinger, H. Advances in Catalysis; Elsevier Academic Press Inc. 525 B Street, Suite 1900, San Diego, CA 92101-4495 USA, Vol.
    • Hammer, B.; Norskov, J. Theoretical Surface Science and Catalysis-Calculations and Concepts. Advances in Catalysis: Impact Of Surface Science On Catalysis; Gates, B. C.; Knozinger, H., Ed.; Advances in Catalysis; Elsevier Academic Press Inc.: 525 B Street, Suite 1900, San Diego, CA 92101-4495 USA, 2000; Vol. 45, pp 71-129.
    • (2000) Advances in Catalysis: Impact of Surface Science on Catalysis , vol.45 , pp. 71-129
    • Hammer, B.1    Norskov, J.2
  • 31
    • 35348980064 scopus 로고
    • Vibrational Interaction between Molecules Adsorbed on a Metal Surface: The Dipole-Dipole Interaction
    • Persson, B. N. J.; Ryberg, R. Vibrational Interaction Between Molecules Adsorbed on a Metal Surface: The Dipole-Dipole Interaction Phys. Rev. B 1981, 24, 6954-6970
    • (1981) Phys. Rev. B , vol.24 , pp. 6954-6970
    • Persson, B.N.J.1    Ryberg, R.2
  • 32
    • 0039336516 scopus 로고
    • Vibrational Phase Relaxation at Surfaces: The Role of Lateral Interaction
    • Persson, B. N. J.; Hoffmann, F. M. Vibrational Phase Relaxation at Surfaces: The Role of Lateral Interaction J. Chem. Phys. 1987, 88, 3349-3351
    • (1987) J. Chem. Phys. , vol.88 , pp. 3349-3351
    • Persson, B.N.J.1    Hoffmann, F.M.2
  • 33
    • 0000299223 scopus 로고    scopus 로고
    • Lateral Interactions of CO in the (2 × 1)p2mg Structure on Pd(110): Force Constants between Tilted CO Molecules
    • Kato, H.; Okuyama, H.; Ichihara, S.; Kawai, M.; Yoshinobu, J. Lateral Interactions of CO in the (2 × 1)p2mg Structure on Pd(110): Force Constants Between Tilted CO Molecules J. Chem. Phys. 2000, 112, 1925-1936
    • (2000) J. Chem. Phys. , vol.112 , pp. 1925-1936
    • Kato, H.1    Okuyama, H.2    Ichihara, S.3    Kawai, M.4    Yoshinobu, J.5
  • 34
    • 0037095527 scopus 로고    scopus 로고
    • Lateral Interactions between Adsorbed Molecules: Investigations of CO on Ru(001) Using Nonlinear Surface Vibrational Spectroscopies
    • Cho, M.; Hess, C.; Bonn, M. Lateral Interactions Between Adsorbed Molecules: Investigations of CO on Ru(001) Using Nonlinear Surface Vibrational Spectroscopies Phys. Rev. B 2002, 65, 1-10
    • (2002) Phys. Rev. B , vol.65 , pp. 1-10
    • Cho, M.1    Hess, C.2    Bonn, M.3
  • 35
    • 2942525464 scopus 로고    scopus 로고
    • High Density Gradients in the (√3 x √3) R30°-CO Layer on Ru-(0001)
    • Jakob, P. High Density Gradients in the (√3 x √3) R30°-CO Layer on Ru-(0001) J. Chem. Phys. 2004, 120, 9286-9296
    • (2004) J. Chem. Phys. , vol.120 , pp. 9286-9296
    • Jakob, P.1
  • 36
    • 0027042322 scopus 로고
    • Domain Wall Superlattices in High Coverage CO Adlayers on Pd(100)
    • Berndt, W.; Bradshaw, A. M. Domain Wall Superlattices in High Coverage CO Adlayers on Pd(100) Surf. Sci. Lett. 1992, 165-169
    • (1992) Surf. Sci. Lett. , pp. 165-169
    • Berndt, W.1    Bradshaw, A.M.2
  • 37
    • 34347342797 scopus 로고    scopus 로고
    • CO Oxidation at Pd(100): A First-Principles Constrained Thermodynamics Study
    • Rogal, J.; Reuter, K.; Scheffler, M. CO Oxidation at Pd(100): A First-Principles Constrained Thermodynamics Study. Phys. Rev. B 2007, 75.
    • (2007) Phys. Rev. B , vol.75
    • Rogal, J.1    Reuter, K.2    Scheffler, M.3
  • 38
    • 65249172611 scopus 로고    scopus 로고
    • Coverage-Dependent CO Adsorption Energy from First-Principles Calculations
    • Shan, B.; Zhao, Y.; Hyun, J.; Kapur, N.; Nicholas, J. B.; Cho, K. Coverage-Dependent CO Adsorption Energy from First-Principles Calculations J. Phys. Chem. C 2009, 113, 6088-6092
    • (2009) J. Phys. Chem. C , vol.113 , pp. 6088-6092
    • Shan, B.1    Zhao, Y.2    Hyun, J.3    Kapur, N.4    Nicholas, J.B.5    Cho, K.6
  • 41
    • 75749085434 scopus 로고    scopus 로고
    • Ultrafast Surface Vibrational Dynamics
    • Arnolds, H.; Bonn, M. Ultrafast Surface Vibrational Dynamics Surf. Sci. Rep. 2010, 65, 45-66
    • (2010) Surf. Sci. Rep. , vol.65 , pp. 45-66
    • Arnolds, H.1    Bonn, M.2
  • 42
    • 73849119955 scopus 로고    scopus 로고
    • Non-Uniqueness of Parameters Extracted from Resonant Second-Order Nonlinear Optical Spectroscopies
    • Busson, B.; Tadjeddine, A. Non-Uniqueness of Parameters Extracted from Resonant Second-Order Nonlinear Optical Spectroscopies J. Phys. Chem. C 2009, 113, 21895-21902
    • (2009) J. Phys. Chem. C , vol.113 , pp. 21895-21902
    • Busson, B.1    Tadjeddine, A.2
  • 43
    • 4243606272 scopus 로고
    • Brownian-Motion and Vibrational Phase Relaxation at Surfaces - CO on Ni(111)
    • Persson, B.; Ryberg, R. Brownian-Motion and Vibrational Phase Relaxation at Surfaces-CO on Ni(111) Phys. Rev. B 1985, 32, 3586-3596
    • (1985) Phys. Rev. B , vol.32 , pp. 3586-3596
    • Persson, B.1    Ryberg, R.2
  • 44
    • 0001315650 scopus 로고    scopus 로고
    • Vibrational Spectrum of (CO)(2) on Cu(100): Quantum Calculations with 18 Coupled Modes
    • Dzegilenko, F.; Bowman, J.; Carter, S. Vibrational Spectrum of (CO)(2) on Cu(100): Quantum Calculations with 18 Coupled Modes J. Chem. Phys. 1998, 109, 7506-7510
    • (1998) J. Chem. Phys. , vol.109 , pp. 7506-7510
    • Dzegilenko, F.1    Bowman, J.2    Carter, S.3
  • 45
    • 63749097040 scopus 로고    scopus 로고
    • Coadsorbate Effects on Adsorbate Vibrational Properties
    • Jakob, P.; Schiffer, A. Coadsorbate Effects on Adsorbate Vibrational Properties Surf. Sci. 2009, 603, 1135-1144
    • (2009) Surf. Sci. , vol.603 , pp. 1135-1144
    • Jakob, P.1    Schiffer, A.2
  • 46
    • 4544385962 scopus 로고    scopus 로고
    • Vibrational Dynamics of Adsorbed Molecules under Conditions of Photodesorption: Pump-Probe SFG Spectra of CO/Pt(111)
    • Fournier, F.; Zheng, W.; Carrez, S.; Dubost, S.; Bourguignon, B. Vibrational Dynamics of Adsorbed Molecules under Conditions of Photodesorption: Pump-Probe SFG Spectra of CO/Pt(111) J. Chem. Phys. 2004, 121, 4839-4847
    • (2004) J. Chem. Phys. , vol.121 , pp. 4839-4847
    • Fournier, F.1    Zheng, W.2    Carrez, S.3    Dubost, S.4    Bourguignon, B.5
  • 47
    • 0019071483 scopus 로고
    • Vibrational Lifetime for CO Adsorbed on Cu(100)
    • Persson, B. N. J.; Persson, M. Vibrational Lifetime for CO Adsorbed on Cu(100) Solid State Commun. 1980, 2, 175-179
    • (1980) Solid State Commun. , vol.2 , pp. 175-179
    • Persson, B.N.J.1    Persson, M.2
  • 48
    • 84887143694 scopus 로고
    • Electronic and Phonon Mechanisms of Vibrational-Relaxation - CO on Cu(100)
    • Tully, J.; Gomez, M.; Headgordon, M. Electronic and Phonon Mechanisms of Vibrational-Relaxation-CO on Cu(100) J. Vac. Sci. Technol., A 1993, 11, 1914-1920
    • (1993) J. Vac. Sci. Technol., A , vol.11 , pp. 1914-1920
    • Tully, J.1    Gomez, M.2    Headgordon, M.3
  • 49
    • 33746887743 scopus 로고    scopus 로고
    • Vibrational Lifetimes of Molecular Adsorbates on Metal Surfaces
    • Krishna, V.; Tully, J. Vibrational Lifetimes of Molecular Adsorbates on Metal Surfaces. J. Chem. Phys. 2006, 125.
    • (2006) J. Chem. Phys. , vol.125
    • Krishna, V.1    Tully, J.2
  • 50
    • 23544458484 scopus 로고
    • The Origin of the Drift in the C-O Vibration of Chemisorbed CO - Cluster Model Studies for CO/Cu(100)
    • Bagus, P.; Müller, W. The Origin of the Drift in the C-O Vibration of Chemisorbed CO-Cluster Model Studies for CO/Cu(100) Chem. Phys. Lett. 1985, 115, 540-544
    • (1985) Chem. Phys. Lett. , vol.115 , pp. 540-544
    • Bagus, P.1    Müller, W.2
  • 51
    • 12844286241 scopus 로고
    • Abinitio Molecular-Dynamics for Liquid-Metals
    • Kresse, G.; Hafner, J. Abinitio Molecular-Dynamics for Liquid-Metals Phys. Rev. B 1993, 47, 558-561
    • (1993) Phys. Rev. B , vol.47 , pp. 558-561
    • Kresse, G.1    Hafner, J.2
  • 52
    • 27744460065 scopus 로고
    • Ab-initio Molecular-Dynamics Simulation of the Liquid-Metal Amorphous-Semiconductor Transition in Germanium
    • Kresse, G.; Hafner, J. Ab-initio Molecular-Dynamics Simulation of the Liquid-Metal Amorphous-Semiconductor Transition in Germanium Phys. Rev. B 1994, 49, 14251-14269
    • (1994) Phys. Rev. B , vol.49 , pp. 14251-14269
    • Kresse, G.1    Hafner, J.2
  • 53
    • 2442537377 scopus 로고    scopus 로고
    • Efficient Iterative Schemes for Ab-Initio Total-Energy Calculations Using a Plane-Wave Basis Set
    • Kresse, G.; Furthmuller, J. Efficient Iterative Schemes for Ab-Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B 199, 54, 11169-11186
    • (1999) Phys. Rev. B , vol.54 , pp. 11169-11186
    • Kresse, G.1    Furthmuller, J.2
  • 54
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of Ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set
    • Kresse, G.; Furthmuller, 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
    • (1996) Comput. Mater. Sci. , vol.6 , pp. 15-50
    • Kresse, G.1    Furthmuller, J.2
  • 55
    • 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
  • 56
    • 4944232881 scopus 로고    scopus 로고
    • Generalized Gradient Approximation Made Simple (vol 77, pg 3865, 1996)
    • Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple (vol 77, pg 3865, 1996) Phys. Rev. Lett. 1997, 78, 1396
    • (1997) Phys. Rev. Lett. , vol.78 , pp. 1396
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 57
    • 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
  • 58
    • 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, 1758-1775
    • (1999) Phys. Rev. B , vol.59 , pp. 1758-1775
    • Kresse, G.1    Joubert, D.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.