$\require{mediawiki-texvc}$

연합인증

연합인증 가입 기관의 연구자들은 소속기관의 인증정보(ID와 암호)를 이용해 다른 대학, 연구기관, 서비스 공급자의 다양한 온라인 자원과 연구 데이터를 이용할 수 있습니다.

이는 여행자가 자국에서 발행 받은 여권으로 세계 각국을 자유롭게 여행할 수 있는 것과 같습니다.

연합인증으로 이용이 가능한 서비스는 NTIS, DataON, Edison, Kafe, Webinar 등이 있습니다.

한번의 인증절차만으로 연합인증 가입 서비스에 추가 로그인 없이 이용이 가능합니다.

다만, 연합인증을 위해서는 최초 1회만 인증 절차가 필요합니다. (회원이 아닐 경우 회원 가입이 필요합니다.)

연합인증 절차는 다음과 같습니다.

최초이용시에는
ScienceON에 로그인 → 연합인증 서비스 접속 → 로그인 (본인 확인 또는 회원가입) → 서비스 이용

그 이후에는
ScienceON 로그인 → 연합인증 서비스 접속 → 서비스 이용

연합인증을 활용하시면 KISTI가 제공하는 다양한 서비스를 편리하게 이용하실 수 있습니다.

[해외논문] CHEMICAL DYNAMICS AT METAL SURFACES

Annual review of physical chemistry, v.51, 2000년, pp.153 - 178  

Tully, John C. (Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107)

Abstract

Abstract Theoretical aspects of dynamical processes at metal surfaces are reviewed. Experimental challenges to theory are presented and progress toward meeting these challenges is appraised. Topics include adsorbate vibrational energy flow, inelastic molecule-surface scattering, adsorption, transient mobility, dissociation, desorption, photochemistry, and electron-induced chemistry at metal surfaces. Experimental examples cited illustrate the richness of dynamical phenomena to be understood and the necessity of developing multidimensional, beyond Born-Oppenheimer, formulations of adsorbate dynamics. Classical mechanical and quantum mechanical treatments of dynamics are contrasted. The importance of including phonon and electron-hole pair dissipation in theories of adsorbate dynamics is emphasized, and strategies for doing this in classical and quantum treatments are presented.

참고문헌 (228)

  1. Ceyer, S T. Dissociative Chemisorption: Dynamics and Mechanisms. Annual review of physical chemistry, vol.39, 479-510.

  2. Arumainayagam, Christopher R., Madix, Robert J.. Molecular beam studies of gas-surface collision dynamics. Progress in surface science, vol.38, no.1, 1-102.

  3. Dynamics of Gas-Surface Interactions. Rettner CT 1991 

  4. Duke, Charles B. Surface science: The first thirty years. Surface science, vol.299, vii-viii.

  5. Surface Reaction Dynamics, Chemical Physics, Vol. 205. Miller RJD 1996 

  6. Hamers, R. J.. Scanned Probe Microscopies in Chemistry. The Journal of physical chemistry, vol.100, no.31, 13103-13120.

  7. Born, M., Oppenheimer, R.. Zur Quantentheorie der Molekeln. Annalen der Physik : adp, vol.389, no.20, 457-484.

  8. Z. Phys. Chem. B Eyring H 279 12 1931 

  9. Quantum Mechanics, Vol. II. Messiah A 1963 

  10. Metiu, Horia, Gadzuk, J. W.. Theory of rate processes at metal surfaces. II. The role of substrate electronic excitations. The Journal of chemical physics, vol.74, no.4, 2641-2653.

  11. Heilweil, E J, Casassa, M P, Cavanagh, R R, Stephenson, J C. Picosecond Vibrational Energy Transfer Studies of Surface Adsorbates. Annual review of physical chemistry, vol.40, 143-171.

  12. Beckerle, J. D., Casassa, M. P., Cavanagh, R. R., Heilweil, E. J., Stephenson, J. C.. Ultrafast infrared response of adsorbates on metal surfaces: Vibrational lifetime of CO/Pt(111). Physical review letters, vol.64, no.17, 2090-2093.

  13. Morin, M., Levinos, N. J., Harris, A. L.. Vibrational energy transfer of CO/Cu(100): Nonadiabatic vibration/electron coupling. The Journal of chemical physics, vol.96, no.5, 3950-3956.

  14. Owrutsky, J. C., Culver, J. P., Li, M., Kim, Y. R., Sarisky, M. J., Yeganeh, M. S., Yodh, A. G., Hochstrasser, R. M.. Femtosecond coherent transient infrared spectroscopy of CO on Cu(111). The Journal of chemical physics, vol.97, no.6, 4421-4427.

  15. Tully, John C., Gomez, Maria, Head-Gordon, Martin. Electronic and phonon mechanisms of vibrational relaxation: CO on Cu(100). Journal of vacuum science & technology. A, Vacuum, surfaces, and films, vol.11, no.4, 1914-1920.

  16. Chang, Huan Cheng., Ewing, George E.. Vibrational energy transfer and population inversion in carbon monoxide overlayers on sodium chloride (100). The Journal of physical chemistry, vol.94, no.19, 7635-7641.

  17. Lewis, Steven P., Rappe, Andrew M.. Substrate-Adsorbate Coupling in CO-Adsorbed Copper. Physical review letters, vol.77, no.26, 5241-5244.

  18. Germer, T. A., Stephenson, J. C., Heilweil, E. J., Cavanagh, R. R.. Picosecond time-resolved adsorbate response to substrate heating: Spectroscopy and dynamics of CO/Cu(100). The Journal of chemical physics, vol.101, no.2, 1704-1716.

  19. Full length article. Surface science, vol.410, no.2, L779-L782.

  20. Culver, J.P., Li, M., Hochstrasser, R.M., Yodh, A.G.. Vibrational dynamics of low frequency (<100 cm−1) adsorbate motions. Surface science, vol.368, no.1, 9-19.

  21. Culver, J.P., Li, M., Sun, Z.-J., Hochstrasser, R.M., Yodh, A.G.. Temperature-dependent coupling of low frequency adsorbate vibrations to metal substrate electrons. Chemical physics, vol.205, no.1, 159-166.

  22. Persson, B. N. J.. Surface resistivity and vibrational damping in adsorbed layers. Physical review. B, Condensed matter, vol.44, no.7, 3277-3296.

  23. Hellsing, B, Persson, M. Electronic Damping of Atomic and Molecular Vibrations at Metal Surfaces. Physica scripta, vol.29, no.4, 360-371.

  24. Wahnström, Göran. Role of phonons and electron—hole pairs in hydrogen diffusion on a corrugated metal surface. Chemical physics letters, vol.163, no.4, 401-406.

  25. Head-Gordon, Martin, Tully, John C.. Vibrational relaxation on metal surfaces: Molecular-orbital theory and application to CO/Cu(100). The Journal of chemical physics, vol.96, no.5, 3939-3949.

  26. Head-Gordon, Martin, Tully, John C.. Molecular dynamics with electronic frictions. The Journal of chemical physics, vol.103, no.23, 10137-10145.

  27. Kubo, R. The fluctuation-dissipation theorem. Reports on progress in physics, vol.29, no.1, 255-284.

  28. Nitzan, Abraham, Tully, John C.. Stochastic classical trajectory approach to relaxation phenomena. III. Comparison of trajectory results to quantum mechanical perturbation theory. The Journal of chemical physics, vol.78, no.6, 3959-3963.

  29. Park, Seung C., Bowman, Joel M., Jelski, Daniel A.. Quantum mechanical calculation of the CO vibrations in CO/Cu(100). The Journal of chemical physics, vol.104, no.6, 2457-2460.

  30. Bahel, Atul, Bačić, Zlatko. Six-dimensional quantum treatment of the vibrations of diatomic adsorbates on solid surfaces: CO on Cu(100). The Journal of chemical physics, vol.111, no.24, 11164-11176.

  31. Hirschmugl, C.J., Williams, G.P., Hoffmann, F.M., Chabal, Y.J.. Adsorbate-substrate resonant interactions observed for Co on Cu(100) and (111) in the far-ir using synchrotron radiation. Journal of electron spectroscopy and related phenomena, vol.54, 109-114.

  32. Chance, R. R., Prock, A., Silbey, R.. Comments on the classical theory of energy transfer. The Journal of chemical physics, vol.62, no.6, 2245-2253.

  33. J. Phys. Persson BNJ 4251 11 1978 

  34. Persson, B.N.J., Persson, M.. Vibrational lifetime for CO adsorbed on Cu(100). Solid state communications, vol.36, no.2, 175-179.

  35. Head-Gordon, Martin, Tully, John C.. Molecular-orbital calculations of the lifetimes of the vibrational modes of CO on Cu(100). Physical review. B, Condensed matter, vol.46, no.3, 1853-1856.

  36. Statistical Mechanics. McQuarrie DM 1976 

  37. Gadzuk, J.W.. On vibrational lineshapes of adsorbed molecules. Surface science, vol.144, no.2, 429-450.

  38. Langreth, David C.. Energy Transfer at Surfaces: Asymmetric Line Shapes and the Electron-Hole-Pair Mechanism. Physical review letters, vol.54, no.2, 126-129.

  39. Jakob, P., Persson, B. N. J.. Dephasing of localized and delocalized vibrational modes: CO adsorbed on Ru(001). Physical review. B, Condensed matter, vol.56, no.16, 10644-10650.

  40. Rettner, C. T., Auerbach, D. J., Tully, J. C., Kleyn, A. W.. Chemical Dynamics at the Gas−Surface Interface. The Journal of physical chemistry, vol.100, no.31, 13021-13033.

  41. Gerber, R. B.. Molecular scattering from surfaces: theoretical methods and results. Chemical reviews, vol.87, no.1, 29-79.

  42. Feibelman, P J. Theory of Adsorbate Interactions. Annual review of physical chemistry, vol.40, 261-290.

  43. Bonding at Surfaces. Holloway S 1991 

  44. Hammer, Bjørk, Scheffler, Matthias, Jacobsen, Karsten W., Nørskov, Jens K.. Multidimensional Potential Energy Surface for $ \mathrm{H}_{2}$ Dissociation over Cu(111). Physical review letters, vol.73, no.10, 1400-1403.

  45. Groß, Axel. Reactions at surfaces studied by ab initio dynamics calculations. Surface science reports, vol.32, no.8, 291-340.

  46. Govind, Niranjan, Wang, Yan Alexander, Carter, Emily A.. Electronic-structure calculations by first-principles density-based embedding of explicitly correlated systems. The Journal of chemical physics, vol.110, no.16, 7677-7688.

  47. Hurst, J. E., Becker, C. A., Cowin, J. P., Janda, K. C., Wharton, L., Auerbach, D. J.. Observation of Direct Inelastic Scattering in the Presence of Trapping-Desorption Scattering: Xe on Pt(111). Physical review letters, vol.43, no.16, 1175-1177.

  48. Tully, John C.. Stochastic-trajectory simulations of gas–surface interactions: Xe on Pt(111). Faraday discussions of the Chemical Society, vol.80, 291-298.

  49. Schönhammer, K., Gunnarsson, O.. Localized dynamic perturbations in metals. Zeitschrift für Physik. B, Condensed matter, vol.38, no.2, 127-131.

  50. 10.1016/B978-0-12-436560-5.50025-4 Tully JC. 1984. In Many Body Phenomena at Surfaces , ed. D Langreth, H Suhl, pp. 377-401. New York: Academic 

  51. Mullins, C.B., Rettner, C.T., Auerbach, D.J.. Variation of the trapping probability of Ar on Pt(111) with kinetic energy and angle of incidence: The changing role of parallel momentum with surface temperature. Chemical physics letters, vol.163, no.2, 111-115.

  52. Head-Gordon, Martin, Tully, John C., Rettner, Charles T., Mullins, C. Buddie, Auerbach, Daniel J.. On the nature of trapping and desorption at high surface temperatures. Theory and experiments for the Ar-Pt(111) system. The Journal of chemical physics, vol.94, no.2, 1516-1527.

  53. Nekrylova, J. V., Harrison, I.. Single hop diffusion of CO from bridge to top sites on Pt(111). The Journal of chemical physics, vol.101, no.2, 1730-1733.

  54. Wintterlin, J., Schuster, R., Ertl, G.. Existence of a “Hot” Atom Mechanism for the Dissociation of $ \mathrm{O}_{2}$ on Pt(111). Physical review letters, vol.77, no.1, 123-126.

  55. Surf. Sci. Ferris JH 2000 

  56. Head-Gordon, Martin, Tully, John C., Schlichting, Hartmut, Menzel, Dietrich. The coverage dependence of the sticking probability of Ar on Ru(001). The Journal of chemical physics, vol.95, no.12, 9266-9276.

  57. Johnson, A. D., Maynard, K. J., Daley, S. P., Yang, Q. Y., Ceyer, S. T.. Hydrogen embedded in Ni: Production by incident atomic hydrogen and detection by high-resolution electron energy loss. Physical review letters, vol.67, no.7, 927-930.

  58. Kindt, James T., Tully, John C.. Simulations of collision-induced absorption of hydrogen on Ni(111). The Journal of chemical physics, vol.111, no.24, 11060-11069.

  59. Brivio, Gian Paolo. Quantum effects in sticking and inelastic scattering of hydrogen and deuterium on metals, with electron-hole pair excitations. Physical review. B, Condensed matter, vol.35, no.12, 5975-5984.

  60. Andersson, S., Wilzén, L., Persson, M., Harris, J.. Sticking in the quantum regime:H2andD2on Cu(100). Physical review. B, Condensed matter, vol.40, no.12, 8146-8168.

  61. Armand, G., Manson, J. R.. Sticking coefficient of light particles on surfaces. Physical review. B, Condensed matter, vol.43, no.18, 14371-14377.

  62. Cardillo, Mark J.. Helium diffraction as a probe of surface topography. Faraday discussions of the Chemical Society, vol.80, 17-27.

  63. Toennies, J P. Helium atom scattering: a gentle and uniquely sensitive probe of surface structure and dynamics. Journal of physics, an Institute of Physics journal. Condensed matter, vol.5, no.a33, A25-A40.

  64. Schlichting, H., Menzel, D., Brunner, T., Brenig, W., Tully, J. C.. Quantum Effects in the Sticking of Ne on a Flat Metal Surface. Physical review letters, vol.60, no.24, 2515-2518.

  65. Stinnett, James A., Madix, Robert J., Tully, John C.. Stochastic simulations of the trapping of ethane on Pt(111) from a realistic potential: The roles of energy transfer processes and surface corrugation. The Journal of chemical physics, vol.104, no.8, 3134-3142.

  66. Kay, Bruce D., Raymond, T. D., Coltrin, Michael E.. Observation of Direct Multiquantum Vibrational Excitation in Gas-Surface Scattering: N $ \mathrm{H}_{3}$ on Au(111). Physical review letters, vol.59, no.24, 2792-2794.

  67. Muhlhausen, Carl W., Williams, Leah Ruby, Tully, John C.. Dynamics of gas-surface interactions: Scattering and desorption of NO from Ag(111) and Pt(111). The Journal of chemical physics, vol.83, no.5, 2594-2606.

  68. Kleyn, A. W., Luntz, A. C., Auerbach, D. J.. Rotational Energy Transfer in Direct Inelastic Surface Scattering: NO on Ag(111). Physical review letters, vol.47, no.16, 1169-1172.

  69. Tenner, Manfred G., Geuzebroek, Frank H., Kuipers, Edgar W., Wiskerke, Arjan E., Kleyn, Aart W.. Orientation dependence of rotational excitation in no scattering from Ag(111). Chemical physics letters, vol.168, no.1, 45-50.

  70. Gostein, M., Parhikhteh, H., Sitz, G. O.. Survival Probability of $ H_{2}(\mathit{v} = 1,\mathit{J} = 1)$ Scattered from Cu(110). Physical review letters, vol.75, no.2, 342-345.

  71. Luntz, A. C., Kleyn, A. W., Auerbach, D. J.. Observation of rotational polarization produced in molecule-surface collisions. Physical review. B, Condensed matter, vol.25, no.6, 4273-4275.

  72. Sitz, Greg O., Kummel, Andrew C., Zare, Richard N.. Alignment and orientation of N2 scattered from Ag(111). The Journal of chemical physics, vol.87, no.5, 3247-3249.

  73. Sitz, Greg O., Kummel, Andrew C., Zare, Richard N., Tully, John C.. Direct inelastic scattering of N2 from Ag(111). II. Orientation. The Journal of chemical physics, vol.89, no.4, 2572-2582.

  74. Kummel, Andrew C., Sitz, Greg O., Zare, Richard N., Tully, John C.. Direct inelastic scattering of N2 from Ag(111). III. Normal incident N2. The Journal of chemical physics, vol.89, no.11, 6947-6955.

  75. Rettner, C. T., Fabre, F., Kimman, J., Auerbach, D. J.. Observation of Direct Vibrational Excitation in Gas-Surface Collisions: NO on Ag(111). Physical review letters, vol.55, no.18, 1904-1907.

  76. Watts, Elizabeth K., Siders, Jennifer L.W., Sitz, Greg O.. Vibrational excitation of NO scattered from Cu(110). Surface science, vol.374, no.1, 191-196.

  77. Kindt, James T., Tully, John C., Head-Gordon, Martin, Gomez, Maria A.. Electron-hole pair contributions to scattering, sticking, and surface diffusion: CO on Cu(100). The Journal of chemical physics, vol.109, no.9, 3629-3636.

  78. Dobbs, K. D., Doren, D. J.. Dynamics of molecular surface diffusion: Origins and consequences of long jumps. The Journal of chemical physics, vol.97, no.5, 3722-3735.

  79. Stipe, B. C., Rezaei, M. A., Ho, W.. Atomistic studies of O2 dissociation on Pt(111) induced by photons, electrons, and by heating. The Journal of chemical physics, vol.107, no.16, 6443-6447.

  80. Hou, H., Rettner, C. T., Auerbach, D. J., Huang, Y., Gulding, S. J., Wodtke, A. M.. The interaction of highly vibrationally excited molecules with surfaces: vibrational relaxation and reaction of NO(v) at Cu(111) and O/Cu(111). Faraday discussions, vol.113, 181-199.

  81. Gadzuk, J. W.. Vibrational excitation in molecule-surface collisions. Analytic modeling vs classical trajectories. The Journal of chemical physics, vol.86, no.9, 5196-5210.

  82. Rettner, C. T., Auerbach, D. J., Michelsen, H. A.. Observation of direct vibrational excitation in collisions of $ \mathrm{H}_{2}$ and $ \mathrm{D}_{2}$ with a Cu(111) surface. Physical review letters, vol.68, no.16, 2547-2550.

  83. Hodgson, A., Samson, P., Wight, A., Cottrell, C.. Rotational Excitation and Vibrational Relaxation of $ \mathrm{H}_{2}$ $ (\upsilon = 1,\mathit{J} = 0)$ Scattered from Cu(111). Physical review letters, vol.78, no.5, 963-966.

  84. Gostein, M., Watts, E., Sitz, G. O.. Vibrational Relaxation of $ \mathrm{H}_{2}$ $ (\mathit{v} = 1,\mathit{J} = 1)$ on Pd(111). Physical review letters, vol.79, no.15, 2891-2894.

  85. Watts, Elizabeth, Sitz, Greg O.. Surface temperature dependence of rotational excitation of H2 scattered from Pd(111). The Journal of chemical physics, vol.111, no.21, 9791-9796.

  86. Wolfe, Karen L., Harvie, Charles E., Weare, John H.. Computational investigation of rules governing selective adsorption intensities. Solid state communications, vol.27, no.12, 1293-1295.

  87. Andersson, S., Wilzén, L., Harris, J.. Resonant Sticking at Surfaces. Physical review letters, vol.57, no.13, 1603-1606.

  88. Yu, Chien-fan, Whaley, K. Birgitta, Hogg, C. S., Sibener, S. J.. Investigation of the spatially isotropic component of the laterally averaged molecular hydrogen/Ag(111) physisorption potential. The Journal of chemical physics, vol.83, no.8, 4217-4234.

  89. Gross, Axel, Scheffler, Matthias. Scattering of hydrogen molecules from a reactive surface: Strong off-specular and rotationally inelastic diffraction. Chemical physics letters, vol.263, no.3, 567-573.

  90. McCormack, D. A., Kroes, G. J., Olsen, R. A., Baerends, E. J., Mowrey, R. C.. Rotational Effects on Vibrational Excitation of $ \mathrm{H}_{2}$ on Cu(100). Physical review letters, vol.82, no.7, 1410-1413.

  91. Billing, Gert Due. The dynamics of molecule-surface interaction. Computer physics reports, vol.12, no.6, 383-450.

  92. Stiles, Mark D., Wilkins, John W.. Inelastic gas-surface scattering. II. Results. Physical review. B, Condensed matter, vol.37, no.13, 7306-7325.

  93. Jackson, Bret. Close-coupling wave-packet study of He and Ne sticking on metal surfaces. The Journal of chemical physics, vol.97, no.9, 6792-6801.

  94. Jackson, Bret. Mean field approach to molecule-surface scattering at finite temperature: Multiphonon theory. The Journal of chemical physics, vol.90, no.1, 140-150.

  95. Kirson, Z.. Dynamics of metal electron excitation in atom-surface collisions: A quantum wave packet approach. Surface science, vol.137, no.2, 527-550.

  96. Sawada, Shin-Ichi, Nitzan, Abraham, Metiu, Horia. Mean-trajectory approximation for charge- and energy-transfer processes at surfaces. Physical review. B, Condensed matter, vol.32, no.2, 851-867.

  97. Jackson, Bret. Reduced density matrix approach for gas-solid scattering. Chemical physics letters, vol.270, no.5, 484-490.

  98. Jean, John M., Friesner, Richard A., Fleming, Graham R.. Application of a multilevel Redfield theory to electron transfer in condensed phases. The Journal of chemical physics, vol.96, no.8, 5827-5842.

  99. Wahnström, Göran. Role of phonons and electron—hole pairs in hydrogen diffusion on a corrugated metal surface. Chemical physics letters, vol.163, no.4, 401-406.

  100. Billing, Gert D.. Semiclassical Formulation of Molecule-Surface Scattering Using an Embedded Diatomics in Molecules Potential. The Journal of physical chemistry, vol.99, no.42, 15378-15386.

  101. Baer, Roi, Kosloff, Ronnie. Quantum dissipative dynamics of adsorbates near metal surfaces: A surrogate Hamiltonian theory applied to hydrogen on nickel. The Journal of chemical physics, vol.106, no.21, 8862-8875.

  102. Balooch, M., Cardillo, M.J., Miller, D.R., Stickney, R.E.. Molecular beam study of the apparent activation barrier associated with adsorption and desorption of hydrogen on copper. Surface science, vol.46, no.2, 358-392.

  103. Bernasek, Steven L.. State-resolved dynamics of chemical reactions at surfaces. Chemical reviews, vol.87, no.1, 91-100.

  104. Ceyer, Sylvia T.. New Mechanisms for Chemistry at Surfaces. Science, vol.249, no.4965, 133-139.

  105. 10.1002/9780470141267.ch4 

  106. Tully, John C.. Dynamics of gas-surface interactions: 3D generalized Langevin model applied to fcc and bcc surfaces. The Journal of chemical physics, vol.73, no.4, 1975-1985.

  107. Mengel, S. K., Billing, G. D.. Influence of Electron−Hole Pair Excitation on Dissociative Sticking. The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, vol.101, no.50, 10781-10790.

  108. Darling, G R, Holloway, S. The dissociation of diatomic molecules at surfaces. Reports on progress in physics, vol.58, no.12, 1595-1672.

  109. Car, R., Parrinello, M.. Unified Approach for Molecular Dynamics and Density-Functional Theory. Physical review letters, vol.55, no.22, 2471-2474.

  110. Kroes, Geert-Jan. Six-dimensional quantum dynamics of dissociative chemisorption of H2 on metal surfaces. Progress in surface science, vol.60, no.1, 1-85.

  111. Nielsen, Ulrik, Halstead, David, Holloway, Stephen, No/rskov, J. K.. The dissociative adsorption of hydrogen: Two-, three-, and four-dimensional quantum simulations. The Journal of chemical physics, vol.93, no.4, 2879-2884.

  112. Sheng, Jia, Zhang, John Z. H.. Dissociative chemisorption of H2 on Ni surface: Time-dependent quantum dynamics calculation and comparison with experiment. The Journal of chemical physics, vol.96, no.5, 3866-3874.

  113. Gross, Axel, Hammer, Bjørk, Scheffler, Matthias, Brenig, Wilhelm. High-Dimensional Quantum Dynamics of Adsorption and Desorption of $ \mathrm{H}_{2}$ at Cu(111). Physical review letters, vol.73, no.23, 3121-3124.

  114. Gross, Axel, Wilke, Steffen, Scheffler, Matthias. Six-Dimensional Quantum Dynamics of Adsorption and Desorption of $ \mathrm{H}_{2}$ at Pd(100): Steering and Steric Effects. Physical review letters, vol.75, no.14, 2718-2721.

  115. Munn, Nicholas S., Clary, David C.. H2 dissociation on metal surfaces: Six-dimensional approximate quantum calculations. The Journal of chemical physics, vol.105, no.12, 5258-5264.

  116. Dai, Jiqiong, Light, John C.. Six dimensional quantum dynamics study for dissociative adsorption of H2 on Cu(111) surface. The Journal of chemical physics, vol.107, no.5, 1676-1679.

  117. Kroes, G. J., Baerends, E. J., Mowrey, R. C.. Six-Dimensional Quantum Dynamics of Dissociative Chemisorption of ( $ \mathit{v} = 0$ , $ \mathit{j} = 0$ ) $ \mathrm{H}_{2}$ on Cu(100). Physical review letters, vol.78, no.18, 3583-3586.

  118. Diño, Wilson Agerico, Kasai, Hideaki, Okiji, Ayao. Rotational Alignment in the Associative Desorption Dynamics ofHydrogen Molecules from Metal Surfaces. Journal of the Physical Society of Japan, vol.67, no.5, 1517-1520.

  119. Darling, G.R, Kay, M, Holloway, S. The steering of molecules in simple dissociation reactions. Surface science, vol.400, no.1, 314-328.

  120. Gross, A., Scheffler, M.. Steering and ro-vibrational effects on dissociative adsorption and associative desorption of H2Pd(100). Progress in surface science, vol.53, no.2, 187-196.

  121. Beauregard, John N., Mayne, Howard R.. The role of reactant rotation and rotational alignment in the dissociative chemisorption of hydrogen in Ni(100). Chemical physics letters, vol.205, no.6, 515-520.

  122. Diño, Wilson Agerico, Kasai, Hideaki, Okiji, Ayao. Dynamical quantum filtering in hydrogen–surface reactions. Surface science, vol.418, no.1, L39-L44.

  123. Brunner, T., Brenig, W.. Rotational cooling and heating in activated adsorption-desorption for D2Cu(111). Surface science, vol.317, no.3, 303-308.

  124. Beutl, Michael, Riedler, Manfred, Rendulic, Klaus D.. Strong rotational effects in the adsorption dynamics of H2/Pd(111): evidence for dynamical steering. Chemical physics letters, vol.247, no.3, 249-252.

  125. Wetzig, D., Dopheide, R., Rutkowski, M., David, R., Zacharias, H.. Rotational Alignment in Associative Desorption of $ \mathrm{D}_{2}$ ( $ \mathit{v}^{''} = 0$ and $ 1$ ) from Pd(100). Physical review letters, vol.76, no.3, 463-466.

  126. Gulding, S. J., Wodtke, A. M., Hou, H., Rettner, C. T., Michelsen, H. A., Auerbach, D. J.. Alignment of D2(v, J) desorbed from Cu(111): Low sensitivity of activated dissociative chemisorption to approach geometry. The Journal of chemical physics, vol.105, no.21, 9702-9705.

  127. Pasteur, A. T., Dixon-Warren, St. J., Ge, Q., King, D. A.. Dynamics of hydrogen dissociation on Pt{100}: Steering, screening and thermal roughening effects. The Journal of chemical physics, vol.106, no.21, 8896-8904.

  128. Vattuone, L., Valbusa, U., Rocca, M.. Influence of Rotational Energy on Adsorption Probability for a Physisorbed System: $ C_{2}H_{4}$ on $ \mathrm{Ag}(001)$. Physical review letters, vol.82, no.24, 4878-4881.

  129. Rendulic, K.D., Anger, G., Winkler, A.. Wide range nozzle beam adsorption data for the systems H2/nickel and H2/Pd(100). Surface science, vol.208, no.3, 404-424.

  130. Hand, M., Holloway, S.. The scattering of H2 and D2 from Cu(100): Vibrationally assisted dissociative adsorption. Surface science, vol.211, 940-947.

  131. Harris, John. On vibrationally-assisted dissociation of H2 at metal surfaces. Surface science, vol.221, no.1, 335-345.

  132. Hayden, B. E., Lamont, C. L. A.. Coupled translational-vibrational activation in dissociative hydrogen adsorption on Cu(110). Physical review letters, vol.63, no.17, 1823-1825.

  133. Michelsen, H. A., Rettner, C. T., Auerbach, D. J.. State-specific dynamics of $ \mathrm{D}_{2}$ desorption from Cu(111): The role of molecular rotational motion in activated adsorption-desorption dynamics. Physical review letters, vol.69, no.18, 2678-2681.

  134. Michelsen, H. A., Rettner, C. T., Auerbach, D. J., Zare, R. N.. Effect of rotation on the translational and vibrational energy dependence of the dissociative adsorption of D2 on Cu(111). The Journal of chemical physics, vol.98, no.10, 8294-8307.

  135. Rettner, C. T., Michelsen, H. A., Auerbach, D. J.. Quantum-state-specific dynamics of the dissociative adsorption and associative desorption of H2 at a Cu(111) surface. The Journal of chemical physics, vol.102, no.11, 4625-4641.

  136. Kinnersley, A.D., Darling, G.R., Holloway, S., Hammer, B.. A comparison of quantum and classical dynamics of H2 dissociation on Cu(111). Surface science, vol.364, no.3, 219-234.

  137. Kay, M., Darling, G. R., Holloway, S.. Comparing quantum and classical dynamics: H2 dissociation on W(100). The Journal of chemical physics, vol.108, no.11, 4614-4627.

  138. McCormack, Drew A., Kroes, Geert-Jan. Accuracy of trajectory methods for activated adsorption of H2 on Cu(100). Chemical physics letters, vol.296, no.5, 515-520.

  139. Darling, G. R., Kay, M., Holloway, S.. Adiabatic Analysis of Quantum Dynamics. Physical review letters, vol.78, no.9, 1731-1734.

  140. Kumar, Sudershan, Jackson, Bret. Dissociative adsorption of H2 on Cu(110): A mixed quantum-classical study. The Journal of chemical physics, vol.100, no.8, 5956-5964.

  141. Tully, John C.. Mixed quantum–classical dynamics. Faraday discussions, vol.110, 407-419.

  142. Baer, Roi, Zeiri, Yehuda, Kosloff, Ronnie. Hydrogen transport in nickel (111). Physical review. B, Condensed matter, vol.55, no.16, 10952-10952.

  143. Chemical Kinetics and Dynamics. Steinfeld JI 1989 

  144. Comsa, George, David, Rudolf. The purely “fast” distribution of H2 and D2 molecules desorbing from Cu(100) and Cu(111) surfaces. Surface science, vol.117, no.1, 77-84.

  145. Schröter, L., David, R., Zacharias, H.. Laser spectroscopy of hydrogen desorption from Pd(100). Journal of vacuum science & technology. an official journal of the American Vacuum Society. A, Vacuum, surfaces, and films, vol.9, no.3, 1712-1718.

  146. Gulding, S. J., Wodtke, A. M., Hou, H., Rettner, C. T., Michelsen, H. A., Auerbach, D. J.. Alignment of D2(v, J) desorbed from Cu(111): Low sensitivity of activated dissociative chemisorption to approach geometry. The Journal of chemical physics, vol.105, no.21, 9702-9705.

  147. Weinberg WH. 1991. In Dynamics of Gas Surface Interactions , ed. CT Rettner, MN Ashford, p. 171. London: R. Soc. Chem. 

  148. SPIE Proc. Lykke K 1208 18 1990 

  149. Kuipers, E. W., Vardi, A., Danon, A., Amirav, A.. Surface-molecule proton transfer: A demonstration of the Eley-Rideal mechanism. Physical review letters, vol.66, no.1, 116-119.

  150. Rettner, C. T.. Dynamics of the direct reaction of hydrogen atoms adsorbed on Cu(111) with hydrogen atoms incident from the gas phase. Physical review letters, vol.69, no.2, 383-386.

  151. Rettner, C. T., Auerbach, D. J.. Dynamics of the Eley-Rideal Reaction of D Atoms with H Atoms Adsorbed on Cu(111): Vibrational and Rotational State Distributions of the HD Product. Physical review letters, vol.74, no.22, 4551-4554.

  152. Elkowitz, Allan B., McCreery, Jane Hylton, Wolken Jr., George. Dynamics of atom-adsorbed atom collisions: Hydrogen on tungsten. Chemical physics, vol.17, no.4, 423-431.

  153. Tully, John C.. Dynamics of gas-surface interactions: Reaction of atomic oxygen with adsorbed carbon on platinum. The Journal of chemical physics, vol.73, no.12, 6333-6342.

  154. Kratzer, P., Brenig, W.. Highly excited molecules from Eley-Rideal reactions. Surface science, vol.254, no.1, 275-280.

  155. Jackson, Bret, Persson, Mats, Kay, Bruce D.. Quantum mechanical study of H(g)+Cl-Au(111): Eley-Rideal mechanism. The Journal of chemical physics, vol.100, no.10, 7687-7695.

  156. Persson, Mats, Jackson, Bret. Isotope effects in the Eley-Rideal dynamics of the recombinative desorption of hydrogen on a metal surface. Chemical physics letters, vol.237, no.5, 468-473.

  157. Kratzer, P., Brenig, W.. The dynamics of desorption induced by atomic hydrogen: HD/Cu(111). Zeitschrift für Physik. B, Condensed matter, vol.99, no.4, 571-576.

  158. Caratzoulas, Stavros, Jackson, Bret, Persson, Mats. Eley-Rideal and hot-atom reaction dynamics of H(g) with H adsorbed on Cu(111). The Journal of chemical physics, vol.107, no.16, 6420-6431.

  159. Shalashilin, Dmitrii V., Jackson, Bret, Persson, Mats. Eley-Rideal and hot-atom reactions of H(D) atoms with D(H)-covered Cu(111) surfaces; quasiclassical studies. The Journal of chemical physics, vol.110, no.22, 11038-11046.

  160. Gadzuk, J W. The Semiclassical Way to Molecular Dynamics at Surfaces. Annual review of physical chemistry, vol.39, 395-424.

  161. 10.1002/9780470141250.ch2 

  162. Avouris, P, Walkup, R E. Fundamental Mechanisms of Desorption and Fragmentation Induced by Electronic Transitions at Surfaces. Annual review of physical chemistry, vol.40, 173-206.

  163. Zhou, X.-L., Zhu, X.-Y., White, J.M.. Photochemistry at adsorbate/metal interfaces. Surface science reports, vol.13, no.3, 73-220.

  164. Commun. At. Mol. Phys. Hasselbrink E 265 27 1992 

  165. Richter, Lee J., Cavanagh, Richard R.. Mechanistic studies of photoinduced reactions at semiconductor surfaces. Progress in surface science, vol.39, no.2, 155-226.

  166. Yang, Qingyun, Osgood Jr., Richard M.. Energy-resolved studies of photochemistry on semiconductor surfaces. The Journal of physical chemistry, vol.97, no.35, 8855-8863.

  167. Zhu, X. Surface Photochemistry. Annual review of physical chemistry, vol.45, 113-144.

  168. Zimmermann, Frank M., Ho, W.. State resolved studies of photochemical dynamics at surfaces. Surface science reports, vol.22, no.4, 127-247.

  169. Ho, W.. Reactions at Metal Surfaces Induced by Femtosecond Lasers, Tunneling Electrons, and Heating. The Journal of physical chemistry, vol.100, no.31, 13050-13060.

  170. Guo, Hua, Saalfrank, Peter, Seideman, Tamar. Theory of photoinduced surface reactions of admolecules. Progress in surface science, vol.62, no.7, 239-303.

  171. Chuang, T.J.. Laser-induced gas-surface interactions. Surface science reports, vol.3, no.1, 1-105.

  172. 10.1007/978-3-642-45550-6 

  173. Menzel, Dietrich, Gomer, Robert. Desorption from Metal Surfaces by Low-Energy Electrons. The Journal of chemical physics, vol.41, no.11, 3311-3328.

  174. Redhead, P. A.. INTERACTION OF SLOW ELECTRONS WITH CHEMISORBED OXYGEN. Canadian journal of physics, vol.42, no.5, 886-905.

  175. Antoniewicz, Peter R.. Model for electron- and photon-stimulated desorption. Physical review. B, Condensed matter, vol.21, no.9, 3811-3815.

  176. Guo, Hua, Seideman, Tamar. Quantum mechanical studies of photodesorption of ammonia from a metal surface: Isotope effects, final state distributions, and desorption mechanisms. The Journal of chemical physics, vol.103, no.20, 9062-9073.

  177. Nessler, Winfried, Bornscheuer, Karl-Heinz, Hertel, Tobias, Hasselbrink, Eckart. Internal quantum state distributions of NH3 photodesorbed from Cu(111) at 6.4 eV. Chemical physics, vol.205, no.1, 205-219.

  178. Burns, A. R., Jennison, D. R., Stechel, E. B., Li, Y. S.. Intramolecular motion during stimulated surface processes. Physical review letters, vol.72, no.24, 3895-3898.

  179. Jennison, D.R., Burns, A.R., Stechel, E.B.. An adiabatic model of chemisorbed molecules: Electron spectroscopy and excited-state potential-energy surfaces. Journal of electron spectroscopy and related phenomena, vol.72, 9-18.

  180. Gadzuk, J.W.. Surface molecules and chemisorption : I. Adatom density of states. Surface science, vol.43, no.1, 44-60.

  181. NEWNS, D. M.. Self-Consistent Model of Hydrogen Chemisorption. Physical review, vol.178, no.3, 1123-1135.

  182. 10.1017/CBO9780511622564 

  183. Nordlander, P., Tully, J. C.. Energy Shifts and Broadening of Excited Hydrogen-Atom Levels in the Vicinity of a Metal Surface. Physical review letters, vol.61, no.8, 990-993.

  184. Teillet-Billy, D, Gauyacq, J.P. Position and width of a negative ion state in front of a surface: formation of C(4S) ions by electron capture. Surface science, vol.239, no.3, 343-352.

  185. Palmer, R. E., Rous, P. J.. Resonances in electron scattering by molecules on surfaces. Reviews of modern physics, vol.64, no.2, 383-440.

  186. Lorente, N., Teillet-Billy, D., Gauyacq, J.-P.. The N2(2Πg) shape resonance in slow N2 collisions with metallic surfaces. Surface science, vol.432, no.1, 155-169.

  187. Tully, John C.. Neutralization of ions at surfaces. Physical review B, Solid state, vol.16, no.10, 4324-4334.

  188. Heiland W. 1994. In Low Energy Ion-Surface Interactions , ed. JW Rabalais, pp. 313-54. New York: Wiley 

  189. Langreth, David C., Nordlander, P.. Derivation of a master equation for charge-transfer processes in atom-surface collisions. Physical review. B, Condensed matter, vol.43, no.4, 2541-2557.

  190. Gadzuk, J.W., Richter, L.J., Buntin, S.A., King, D.S., Cavanagh, R.R.. Laser-excited hot-electron induced desorption: A theoretical model applied to NO/Pt(111). Surface science, vol.235, no.2, 317-333.

  191. Gadzuk, J.W.. Resonance-assisted, hot-electron-induced desorption. Surface science, vol.342, no.1, 345-358.

  192. Saalfrank, Peter. Photodesorption of neutrals from metal surfaces: a wave packet study. Chemical physics, vol.193, no.1, 119-139.

  193. Guo, Hua. Two-dimensional wave packet studies of photon-stimulated desorption of NO from a metal surface induced by single and multiple electronic excitations. The Journal of chemical physics, vol.106, no.5, 1967-1977.

  194. Chakrabarti, N., Sathyamurthy, N., Gadzuk, J. W.. Photoinduced Desorption of Molecules from Metal Surfaces Using Femtosecond Pulses: A Model Dynamical Study. The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, vol.102, no.23, 4154-4157.

  195. Klüner, T., Thiel, S., Freund, H.-J., Staemmler, V.. The vibrational excitation of NO desorbing from NiO(100) after UV laser irradiation: is NO a possible intermediate species?. Chemical physics letters, vol.294, no.4, 413-418.

  196. Klüner, T., Freund, H.-J., Staemmler, V., Kosloff, R.. Theoretical Investigation of Laser Induced Desorption of Small Molecules from Oxide Surfaces: A First Principles Study. Physical review letters, vol.80, no.23, 5208-5211.

  197. 10.1007/978-1-4615-6808-7 

  198. Lindblad, G.. On the generators of quantum dynamical semigroups. Communications in mathematical physics, vol.48, no.2, 119-130.

  199. 10.1016/B978-1-4832-3114-3.50007-6 

  200. 10.1002/9780470141526.ch3 

  201. Caldeira, A.O.. Path integral approach to quantum Brownian motion. Physica. A, vol.121, no.3, 587-616.

  202. Kohen, D., Tannor, D. J.. Classical-quantum correspondence in the Redfield equation and its solutions. The Journal of chemical physics, vol.107, no.13, 5141-5153.

  203. Gao, Shiwu. Dissipative Quantum Dynamics with a Lindblad Functional. Physical review letters, vol.79, no.17, 3101-3104.

  204. Saalfrank, Peter, Kosloff, Ronnie. Quantum dynamics of bond breaking in a dissipative environment: Indirect and direct photodesorption of neutrals from metals. The Journal of chemical physics, vol.105, no.6, 2441-2455.

  205. Saalfrank, Peter. Open-system quantum dynamics for laser-induced DIET and DIMET. Surface science, vol.390, no.1, 1-10.

  206. Pesce, Lorenzo, Gerdts, Thorsten, Manthe, Uwe, Saalfrank, Peter. Variational wave packet method for dissipative photodesorption problems. Chemical physics letters, vol.288, no.2, 383-390.

  207. Prybyla, J. A., Heinz, T. F., Misewich, J. A., Loy, M. M. T., Glownia, J. H.. Desorption induced by femtosecond laser pulses. Physical review letters, vol.64, no.13, 1537-1540.

  208. Budde, F., Heinz, T. F., Loy, M. M. T., Misewich, J. A., de Rougemont, F., Zacharias, H.. Femtosecond time-resolved measurement of desorption. Physical review letters, vol.66, no.23, 3024-3027.

  209. Prybyla, J. A., Tom, H. W. K., Aumiller, G. D.. Femtosecond time-resolved surface reaction: Desorption of Co from Cu(111) in <325 fsec. Physical review letters, vol.68, no.4, 503-506.

  210. Deliwala, S., Finlay, R.J., Goldman, J.R., Her, T.H., Mieher, W.D., Mazur, E.. Surface femtochemistry of 02 and CO on Pt(111). Chemical physics letters, vol.242, no.6, 617-622.

  211. Kao, F.-J., Busch, D. G., Gomes da Costa, D., Ho, W.. Femtosecond versus nanosecond surface photochemistry: $ \mathrm{O}_{2}$ +CO on Pt(111) at 80 K. Physical review letters, vol.70, no.26, 4098-4101.

  212. Kao, F.-J., Busch, D. G., Cohen, D., Gomes da Costa, D., Ho, W.. Femtosecond laser desorption of molecularly adsorbed oxygen from Pt(111). Physical review letters, vol.71, no.13, 2094-2097.

  213. Busch, D. G., Ho, W.. Direct Observation of the Crossover from Single to Multiple Excitations in Femtosecond Surface Photochemistry. Physical review letters, vol.77, no.7, 1338-1341.

  214. Misewich, J. A., Heinz, T. F., Newns, D. M.. Desorption induced by multiple electronic transitions. Physical review letters, vol.68, no.25, 3737-3740.

  215. 10.1143/PTPS.106.411 

  216. Springer, Clayton, Head-Gordon, Martin, Tully, John C.. Simulations of femtosecond laser-induced desorption of CO from Cu(100). Surface science, vol.320, no.1, L57-L62.

  217. Springer, Clayton, Head-Gordon, Martin. Simulations of the femtosecond laser-induced desorption of CO from Cu(100) at 0.5 ML coverage. Chemical physics, vol.205, no.1, 73-89.

  218. Tully, John C.. Dynamics of gas-surface interactions: Thermal desorption of Ar and Xe from platinum. Surface science, vol.111, no.3, 461-478.

  219. Gadzuk, J.W.. Hot-electron femtochemistry at surfaces: on the role of multiple electron processes in desorption. Chemical physics, vol.251, no.1, 87-97.

  220. Haight, Richard. Electron dynamics at surfaces. Surface science reports, vol.21, no.8, 275-325.

  221. Stipe, B. C., Rezaei, M. A., Ho, W.. Coupling of Vibrational Excitation to the Rotational Motion of a Single Adsorbed Molecule. Physical review letters, vol.81, no.6, 1263-1266.

  222. Stipe, B. C., Rezaei, M. A., Ho, W., Gao, S., Persson, M., Lundqvist, B. I.. Single-Molecule Dissociation by Tunneling Electrons. Physical review letters, vol.78, no.23, 4410-4413.

  223. Shen, T. -C., Wang, C., Abeln, G. C., Tucker, J. R., Lyding, J. W., Avouris, Ph., Walkup, R. E.. Atomic-Scale Desorption Through Electronic and Vibrational Excitation Mechanisms. Science, vol.268, no.5217, 1590-1592.

  224. Walkup, R. E., Newns, D. M., Avouris, Ph.. Role of multiple inelastic transitions in atom transfer with the scanning tunneling microscope. Physical review. B, Condensed matter, vol.48, no.3, 1858-1861.

  225. Gao, Shiwu, Persson, Mats, Lundqvist, B.I.. Atomic switch proves importance of electron-hole pair mechanism in processes on metal surfaces. Solid state communications, vol.84, no.3, 271-273.

  226. Gao, Shiwu, Persson, M., Lundqvist, B. I.. Theory of atom transfer with a scanning tunneling microscope. Physical review. B, Condensed matter, vol.55, no.7, 4825-4836.

  227. Persson, B.N.J., Avouris, Ph.. Local bond breaking via STM-induced excitations: the role of temperature. Surface science, vol.390, no.1, 45-54.

  228. Boendgen, G., Saalfrank, P.. STM-Induced Desorption of Hydrogen from a Silicon Surface: An Open-System Density Matrix Study. The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, vol.102, no.41, 8029-8035.

활용도 분석정보

상세보기
다운로드
내보내기

활용도 Top5 논문

해당 논문의 주제분야에서 활용도가 높은 상위 5개 콘텐츠를 보여줍니다.
더보기 버튼을 클릭하시면 더 많은 관련자료를 살펴볼 수 있습니다.

관련 콘텐츠

저작권 관리 안내
섹션별 컨텐츠 바로가기

AI-Helper ※ AI-Helper는 오픈소스 모델을 사용합니다.

AI-Helper 아이콘
AI-Helper
안녕하세요, AI-Helper입니다. 좌측 "선택된 텍스트"에서 텍스트를 선택하여 요약, 번역, 용어설명을 실행하세요.
※ AI-Helper는 부적절한 답변을 할 수 있습니다.

선택된 텍스트

맨위로