RSS feeds
РусскийEnglish
Issue 11, 2024
Volume year page
Issues Authors PACS Subscription For authors

Issues

 / 

2013

 / 

October

←  →

Reviews of topical problems


Modeling of configurational transitions in atomic systems

 a,  b
a Department of Chemistry, University of Chicago, 5735 South Ellis Ave., Chicago, Illinois, 60637, USA
b Joint Institute for High Temperatures, Russian Academy of Sciences, ul. Izhorskaya 13/19, Moscow, 127412, Russian Federation

Configurational transitions in atomic systems, i.e. transitions that change the system’s geometric structure, include chemical reactions in gases, transitions between aggregate states of a polyatomic system, i.e. the phase transitions, and nanocatalytic processes. These transitions are analyzed from the standpoint of the behavior of the system on its effective Potential Energy Surface (PES), so that the transition results from passage between different local minima of the PES. It is shown that the density functional theory (DFT) is suitable in principle for the analysis of complex atomic systems, but based on contemporary computer codes, this method is not suitable even for simple atomic systems, such as heavy atoms or metal clusters. Next, a statistical determination of energetic parameters of atomic systems does not allow to analyze the dynamics of configuration transitions; in particular, the activation energy of a chemical process differs significantly from the height of a barrier which separates the atomic configurations of the initial and final states of the transition. In particular, the statistical models, including DFT, give a melting point for clusters with a pairwise atomic interaction that is twice that from dynamic models which account for thermal motion of atoms. Hence the optimal description of configurational transitions for atomic systems may be based on joining the DFT methods for determination the PES of this system with molecular dynamics, to account for thermal motion of atoms.

Fulltext pdf (1011 KB)
Fulltext is also available at DOI: 10.3367/UFNe.0183.201310b.1029
PACS: 36.40.−c, 36.40.Ei, 64.70.D−, 71.15.Mb, 81.16.Hc, 82.30.−b (all)
DOI: 10.3367/UFNe.0183.201310b.1029
URL: https://ufn.ru/en/articles/2013/10/b/
000329313100002
2013PhyU...56..973B
Citation: Berry R S, Smirnov B M "Modeling of configurational transitions in atomic systems" Phys. Usp. 56 973–998 (2013)
BibTexBibNote ® (generic)BibNote ® (RIS)MedlineRefWorks

Received: 21st, January 2013, revised: 6th, April 2013, 16th, April 2013

Оригинал: Берри Р С, Смирнов Б М «Моделирование конфигурационных переходов в атомных системах» УФН 183 1029–1057 (2013); DOI: 10.3367/UFNr.0183.201310b.1029

References (309) ↓ Cited by (6) Similar articles (20)

  1. Marcelin R Ann. Physique 3 152 (1915)
  2. Hoare M R, Pal P Adv. Phys. 20 161 (1971)
  3. Hoare M R, Pal P Adv. Phys. 24 645 (1975)
  4. Hoare M R Adv. Chem. Phys. 40 49 (1979)
  5. Stillinger F H, Weber T A Phys. Rev. A 25 978 (1982)
  6. Stillinger F H, Weber T A Phys. Rev. A 28 2408 (1983)
  7. Corti D S et al. Phys. Rev. E 55 5522 (1997)
  8. Komatsuzaki T, Berry R S J. Chem. Phys. 110 9160 (1999)
  9. Wales D J Energy Landscapes (Cambridge: Cambridge Univ. Press, 2003)
  10. Vekhter B, Ball K D, Rose J, Berry R S J. Chem. Phys. 106 4644 (1997)
  11. Jones J E, Ingham A E Proc. R. Soc. Lond. A 107 636 (1925)
  12. Jones J E Proc. R. Soc. Lond. A 106 463 (1924)
  13. Smirnov B M Principles Of Statistical Physics (Weinheim: Wiley-VCH, 2006)
  14. Friedel J Physics Of Metals Vol. 1 Electrons (Ed. J M Ziman) (London: Cambridge Univ. Press, 1969)
  15. Chadi D J Phys. Rev. B 19 2074 (1979)
  16. Gupta R P Phys. Rev. B 23 6265 (1981)
  17. Tománek D, Mukherjee S, Bennemann K H Phys. Rev. B 28 665 (1983)
  18. Sutton A P et al. J. Phys. C Solid State Phys. 21 35 (1988)
  19. Sawada S, Sugano S Z. Phys. D 14 247 (1989)
  20. Cleri F, Rosato V Phys. Rev. B 48 22 (1993)
  21. Hohenberg P, Kohn W Phys. Rev. 136 B864 (1964)
  22. Kohn W, Sham L J Phys. Rev. 140 A1133 (1965)
  23. Parr R G, Yang W Density-Functional Theory Of Atoms And Molecules (New York: Oxford Univ. Press, 1989)
  24. Dreizler R M, Gross E K U Density Functional Theory: An Approach To The Quantum Many-Body Problem (Berlin: Springer-Verlag, 1990)
  25. Koch W, Holthausen M C A Chemist’s Guide To Density Functional Theory (Weinheim: Wiley-VCH, 2000)
  26. Fiolhais C, Nogueira F, Marques M (Eds) A Primer In Density Functional Theory (Berlin: Springer, 2003)
  27. Sholl D S, Steckel J A Density Functional Theory: A Practical Introduction (Hoboken, N.J.: Wiley, 2009)
  28. Burke K J. Chem. Phys. 136 150901 (2012)
  29. Alder B J, Wainwright T E J. Chem. Phys. 27 1208 (1957)
  30. Alder B J, Wainwright T E J. Chem. Phys. 31 459 (1959)
  31. Rahman A Phys. Rev. 136 A405 (1964)
  32. Stillinger F H, Rahman A J. Chem. Phys. 60 1545 (1974)
  33. Haile J M Molecular Dynamics Simulation. Elementary Methods (New York: Wiley, 1992)
  34. Rapaport D C The Art Of Molecular Dynamics Simulation (Cambridge: Cambridge Univ. Press, 1995)
  35. Leach A R Molecular Modelling: Principles And Applications (New York: Willey, 1992)
  36. Schlick T Molecular Modelling And Simulation: An Interdisciplinary Guide (New York: Springer, 2002)
  37. Griebel M, Knapek S, Zumbusch G Numerical Simulation In Molecular Dynamics (Berlin: Springer, 2007)
  38. Hypercube, Inc., http://www.hyper.com/
  39. University of Illinois at Urbana-Champaign. Theoretical and Computational Biophysics Group. Visual Molecular Dynamics, http://www.ks.uiuc.edu/Research/vmd/
  40. Sandia National Laboratories. LAMMPS Molecular Dynamics Simulator, http://lammps.sandia.gov/
  41. http://www.ks.vasp.at/
  42. Car R, Parrinello M Phys. Rev. Lett. 55 2471 (1985)
  43. Mott N F, Massey H S W The Theory Of Atomic Collisions (Oxford: Clarendon Press, 1965)
  44. Smirnov B M, Berry R S Phase Transitions Of Simple Systems (Heidelberg: Springer, 2007)
  45. Lindemann F A Phys. Z. 11 609 (1910)
  46. Etters R D, Kaelberer J Phys. Rev. A 11 1068 (1975)
  47. Berry R S et al. Adv. Chem. Phys. 70 (Pt. 2) 75 (1988)
  48. Zhou Y, Karplus M, Ball K D, Berry R S J. Chem. Phys. 116 2323 (2002)
  49. Arrhenius S Z. Phys. Chem. 28 317 (1899)
  50. Conroy H, Bruner B L J. Chem. Phys. 47 921 (1967)
  51. Massey H S W Rep. Prog. Phys. 12 248 (1949)
  52. Nikitin E E, Umanskii S Ya Neadiabaticheskie Perekhody pri Medlennykh Atomnykh Stolknoveniyakh (M.: Atomizdat, 1979); Nikitin E E, Umanskii S Ya Theory Of Slow Atomic Collisions (Berlin: Springer, 1984)
  53. Smirnov B M Physics Of Atoms And Ions (New York: Springer, 2003)
  54. Slater J C Phys. Rev. 34 1293 (1929)
  55. Boys S F Proc. R. Soc. Lond. A 200 542 (1950)
  56. Hartree D R The Calculation Of Atomic Structures (New York: J. Wiley, 1957)
  57. Eyring H J. Chem. Phys. 3 107 (1935)
  58. Evans M G, Polanyi M Trans. Faraday Soc. 31 875 (1935)
  59. Wynne-Jones W F K, Eyring H J. Chem. Phys. 3 492 (1935)
  60. Evans M G, Polanyi M Trans. Faraday Soc. 33 448 (1937)
  61. Nikitin E E Teoriya Elementarnykh Atomno-molekulyarnykh Protsessov v Gazakh (M.: Khimiya, 1970); Nikitin E E Theory Of Elementary Atomic And Molecular Processes In Gases (Oxford: Clarendon Press, 1974)
  62. Laidler K J Chemical Kinetics (New York: Harper & Row, 1987)
  63. Levine R D, Bernstein R B Molecular Reaction Dynamics And Chemical Reactivity (New York: Oxford Univ. Press, 1987)
  64. Upadhyay S K Chemical Kinetics And Reaction Dynamics (New York: Springer, 2006)
  65. Torello F, Dondi M G J. Chem. Phys. 70 1564 (1979)
  66. Partridge H et al. J. Chem. Phys. 99 5951 (1993)
  67. Siegbahn P, Liu B J. Chem. Phys. 68 2457 (1978)
  68. Westenberg A A, de Haas N J. Chem. Phys. 47 1393 (1967)
  69. Karplus M, Porter R N, Sharma R D J. Chem. Phys. 43 3259 (1965)
  70. Smirnov B M Reference Data On Atomic Physics And Atomic Processes (Berlin: Springer, 2008)
  71. Nikitin E E Teor. Eksp. Khimiya 4 751 (1968); Nikitin E E Theor. Exp. Chem. 4 482 (1968)
  72. Zembekov A A, Nikitin E E Dokl. Akad. Nauk SSSR 205 1392 (1972)
  73. Kondratiev V N, Nikitin E E Gas-Phase Reactions. Kinetics And Mechanisms (Berlin: Springer-Verlag, 1981)
  74. Zewail A H Science 242 1645 (1988)
  75. Smirnov B M Fundamentals Of Ionized Gases (Berlin: Wiley, 2012)
  76. Berry R S J. Chem. Phys. 27 1288 (1957)
  77. Bond G C, Louis C, Thompson D T Catalysis By Gold (Singapore: World Scientific, 2006)
  78. Gibbs J W Trans. Conn. Acad. Arts Sci. 3 108 (1875)
  79. Gibbs J W Trans. Conn. Acad. Arts Sci. 3 343 (1878)
  80. Gibbs J W The Collected Works (New York: Longmans, Green and Co., 1928)
  81. ter Haar D Elements Of Thermostatistics (New York: Holt, Rinehart and Winston, 1966)
  82. ter Haar D, Wergeland H Elements Of Thermodynamics (Reading, Mass.: Addison-Wesley Publ. Co., 1966)
  83. Kubo R Thermodynamics (Amsterdam: North-Holland, 1968)
  84. Kittel C, Kroemer H Thermal Physics (San Francisco: W. H. Freeman, 1980)
  85. Landau L D, Lifshits E M Statisticheskaya Fizika Vol. 1 (M.: Nauka, 1976); Landau L D, Lifshitz E M Statistical Physics Vol. 1 (Oxford: Pergamon Press, 1980)
  86. Stowe K Introduction To Statistical Physics And Thermodynamics (New York: Wiley, 1984)
  87. Callen H Thermodynamics And Intoduction To Thermostatics (New York: Wiley, 1984)
  88. Smirnov B M Usp. Fiz. Nauk 171 1291 (2001); Smirnov B M Phys. Usp. 44 1229 (2001)
  89. Kittel Ch Introduction To Solid State Physics (New York: Wiley, 1986)
  90. Smirnov B M Zh. Eksp. Teor. Fiz. 112 1847 (1997); Smirnov B M JETP 85 1010 (1997)
  91. Smirnov B M Phys. Scripta 58 595 (1998)
  92. Smirnov B M Clusters And Small Particles: In Gases And Plasmas (New York: Springer, 2000)
  93. Smirnov B M Inorg. Mater. 35 562 (1999)
  94. Berry R S, Smirnov B M Nucleation Theory And Applications (Eds J W P Schmelzer, G Röpke, V B Priezzhev) (Dubna: JINR, 2002) p. 340
  95. Mackay A L Acta Cryst. 15 916 (1962)
  96. Wales D J, Berry R S J. Chem. Phys. 92 4283 (1990)
  97. Berry R S, Jellinek J, Natanson G Phys. Rev. A 30 919 (1984)
  98. Jellinek J, Beck T L, Berry R S J. Chem. Phys. 84 2783 (1986)
  99. Berry R S Chem. Rev. 93 2379 (1993)
  100. Kunz R E, Berry R S Phys. Rev. E 49 1895 (1994)
  101. Berry R S Theory Of Atomic And Molecular Clusters (Ed. J Jellinek) (Berlin: Springer, 1999) p. 1
  102. Davis H L, Jellinek J, Berry R S J. Chem. Phys. 86 6456 (1987)
  103. Berry R S, Smirnov B M Zh. Eksp. Teor. Fiz. 127 1282 (2005); Berry R S, Smirnov B M JETP 100 1129 (2005)
  104. Berri R S, Smirnov B M Usp. Fiz. Nauk 175 367 (2005); Berry R S, Smirnov B M Phys. Usp. 48 345 (2005)
  105. Berry R S, Smirnov B M FNT 35 339 (2009); Berry R S, Smirnov B M Low Temp. Phys. 35 256 (2009)
  106. Berry R S, Smirnov B M J. Chem. Phys. 130 064302 (2009)
  107. Bixon M, Jortner J J. Chem. Phys. 91 1631 (1989)
  108. Wales D J et al. Adv. Chem. Phys. 115 1 (2000)
  109. Kunz R E, Berry R S Phys. Rev. Lett. 71 3987 (1993)
  110. Wales D J Chem. Phys. Lett. 166 419 (1990)
  111. Braier P A, Berry R S, Wales D J J. Chem. Phys. 93 8745 (1990)
  112. Labastie P, Whetten R L Phys. Rev. Lett. 65 1567 (1990)
  113. Cheng H-P, Berry R S MRS Symp. Proc. 206 241 (1991)
  114. Cheng H-P, Berry R S Phys. Rev. A 45 7969 (1992)
  115. Doye J P K, Wales D J J. Chem. Phys. 102 9659 (1995)
  116. Finnis M W, Sinclair J E Philos. Mag. A 50 45 (1984)
  117. Sutton A P, Chen J Philos. Mag. Lett. 61 139 (1990)
  118. Freeman D L, Doll J D J. Chem. Phys. 82 462 (1985)
  119. Arslan H, Güven M H New J. Phys. 7 60 (2005)
  120. Garzón I L, Jellinek J Z. Phys. D 20 235 (1991)
  121. Garzon I L, Jellinek J Z. Phys. D 26 316 (1993)
  122. Neirotti J P et al. J. Chem. Phys. 112 10340 (2000)
  123. Calvo F et al. J. Chem. Phys. 112 10350 (2000)
  124. Lee Y J et al. J. Comput. Chem. 21 380 (2000)
  125. Carignano M A Chem. Phys. Lett. 361 291 (2002)
  126. Sebetci A, Guvenc Z B Modelling Simul. Mater. Sci. Eng. 12 1131 (2004)
  127. Doye J P K, Wales D J New J. Chem. 22 733 (1998)
  128. Koskinen P et al. New J. Phys. 8 9 (2006)
  129. Gafner S L, Gafner Yu Ya Zh. Eksp. Teor. Fiz. 134 831 (2008); Gafner S L, Gafner Yu Ya JETP 107 712 (2008)
  130. Gafner S L, Redel’ L V, Gafner Yu Ya Zh. Eksp. Teor. Fiz. 135 899 (2009); Gafner S L, Redel L V, Gafner Yu Ya JETP 108 784 (2009)
  131. Gafner Yu Ya, Gafner S L, Chepkasov I V Zh. Eksp. Teor. Fiz. 138 687 (2010); Gafner Yu Ya, Gafner S L, Chepkasov I V JETP 111 608 (2010)
  132. Daw M S, Baskes M I Phys. Rev. Lett. 50 1285 (1983)
  133. Daw M S, Baskes M I Phys. Rev. B 29 6443 (1984)
  134. Lee Y J et al. Phys. Rev. Lett. 86 999 (2001)
  135. Coquet R, Howard K L, Willock D J Chem. Soc. Rev. 37 2046 (2008)
  136. van Lenthe E, Baerends E J, Snijders J G J. Chem. Phys. 99 4597 (1993)
  137. van Lenthe E, Baerends E J, Snijders J G J. Chem. Phys. 101 9783 (1994)
  138. Pyykkö P Chem. Rev. 88 563 (1988)
  139. Pyykkö P Angew. Chem. Int. Ed. 43 4412 (2004)
  140. Pyykkö P Inorg. Chim. Acta 358 4113 (2005)
  141. Philipsen P H T, Baerends E J Phys. Rev. B 61 1773 (2000)
  142. Berri R S, Smirnov B M Usp. Fiz. Nauk 179 147 (2009); Berry R S, Smirnov B M Phys. Usp. 52 137 (2009)
  143. Häberlen O D et al. J. Chem. Phys. 106 5189 (1997)
  144. Doye J P K, Wales D J J. Chem. Soc. Faraday Trans. 93 4233 (1997)
  145. Wilson N T, Johnston R L Eur. Phys. J. D 12 161 (2000)
  146. Darby S et al. J. Chem. Phys. 116 1536 (2002)
  147. Wang J, Wang G, Zhao J Phys. Rev. B 66 035418 (2002)
  148. Oviedo J, Palmer R E J. Chem. Phys. 117 9548 (2002)
  149. Johansson M P et al. Phys. Rev. A 77 053202 (2008)
  150. Li J et al. Science 299 864 (2003)
  151. Häkkinen H et al. J. Phys. Chem. A 107 6168 (2003)
  152. Furche F et al. J. Chem. Phys. 117 6982 (2002)
  153. Glib S et al. J. Chem. Phys. 116 4094 (2002)
  154. Xiao Li et al. J. Chem. Phys. 124 114309 (2006)
  155. Fielicke A et al. Phys. Rev. Lett. 93 023401 (2004)
  156. Fielicke A, von Helden G, Meijer G Eur. Phys. J. D 34 83 (2005)
  157. Gruene P et al. Science 321 674 (2008)
  158. Komoda T Jpn. J. Appl. Phys. 7 27 (1968)
  159. Buffat P-A et al. Faraday Discuss. 92 173 (1991)
  160. Marks L D Rep. Prog. Phys. 57 603 (1994)
  161. Ascencio J A et al. Surf. Sci. 396 349 (1998)
  162. Ascencio J A, Pérez M, José-Yacamán M Surf. Sci. 447 73 (2000)
  163. Koga K, Sugawara K Surf. Sci. 529 23 (2003)
  164. Häkkinen H et al. Phys. Rev. Lett. 93 093401 (2004)
  165. Koga K, Ikeshoji T, Sugawara K Phys. Rev. Lett. 92 115507 (2004)
  166. Suzdalev I P Nanotekhnologiya: Fiziko-khimiya Nanoklasterov, Nanostruktur i Nanomaterialov (M.: KomKniga, 2006)
  167. Makarov G N Usp. Fiz. Nauk 178 337 (2008); Makarov G N Phys. Usp. 51 319 (2008)
  168. Makarov G N Usp. Fiz. Nauk 180 185 (2010); Makarov G N Phys. Usp. 53 179 (2010)
  169. Natanson G, Amar F, Berry R S J. Chem. Phys. 78 399 (1983)
  170. Smirnov B M Usp. Fiz. Nauk 164 1165 (1994); Smirnov B M Phys. Usp. 37 1079 (1994)
  171. Berry R S, Smirnov B M J. Chem. Phys. 114 6816 (2001)
  172. Berry R S, Smirnov B M J. Non-Cryst. Solids 351 1543 (2005)
  173. Arslan H, Güven M H Acta Phys. Slovac. 56 511 (2006)
  174. Yildirim E K, Atis M, Guvenc Z B Phys. Scripta 75 111 (2007)
  175. Beck T L, Jellinek J, Berry R S J. Chem. Phys. 87 545 (1987)
  176. Berry R S, Smirnov B M Nanomech. Sci. Technol. Int. J. 3 167 (2012)
  177. Fogler H S Elements Of Chemical Reaction Engineering (Englewood Cliffs, N.J.: Prentice-Hall, 1992)
  178. Atkins P W Physical Chemistry (New York: W.H. Freeman, 1994)
  179. Boreskov G K Heterogeneous Catalysis (Hauppauge, N.Y.: Nova Science Publ., 2003)
  180. Ertl G et al. (Eds) Handbook Of Heterogeneous Catalysis (Weinheim: Wiley, 2008)
  181. Rothenberg G Catalysis. Concepts And Green Applications (Weinheim: Wiley, 2008)
  182. Kolasinski K W Surface Science: Foundations Of Catalysis And Nanoscience (Weinheim: Wiley, 2008)
  183. http://www.chemguide.co.uk/physical/catalysis
  184. http://en.wikipedia.org/wiki/Heterogeneous_catalysis
  185. Bond G C Catalysis By Metals (London: Academic Press, 1962)
  186. Ponec V, Bond G C Catalysis By Metals And Alloys (Amsterdam: Elsevier, 1995)
  187. Haruta M CATTECH 6 102 (2002)
  188. Judai K et al. Int. J. Mass Spectrom. 229 99 (2003)
  189. Judai K et al. J. Am. Chem. Soc. 126 2732 (2004)
  190. Kittel Ch Thermal Physics (New York: Wiley, 1970)
  191. Bligaard T et al. J. Catal. 224 206 (2004)
  192. Berry R S, Smirnov B M J. Phys. Chem. A 113 14220 (2009)
  193. Rainer D R et al. J. Catal. 167 234 (1997)
  194. Piccolo L, Henry C R Appl. Surf. Sci. 162 - 163 670 (2000)
  195. Piccolo L, Henry C R J. Mol. Catal. A 167 181 (2001)
  196. Heiz U, Landman U (Eds) Nanocatalysis (Berlin: Springer, 2007)
  197. Moshfegh A Z J. Phys. D 42 233001 (2009)
  198. Gellman A J, Shukla N Nature Mater. 8 87 (2009)
  199. Haruta M Catal. Today 36 153 (1997)
  200. Haruta M et al. Chem. Lett. 16 405 (1987)
  201. Haruta M et al. J. Catal. 115 301 (1989)
  202. Wigner E, Seitz F Phys. Rev. 46 509 (1934)
  203. Wigner E Phys. Rev. 46 1002 (1934)
  204. Haruta M Chem. Record 3 75 (2003)
  205. Bondzie V A, Parker S C, Campbell C T Catal. Lett. 63 143 (1999)
  206. Chang C M, Chou M Y Phys. Rev. Lett. 93 133401 (2004)
  207. Herzing A A et al. Science 321 1331 (2008)
  208. Tian N et al. Science 316 732 (2007)
  209. Ueda A, Haruta M Resources Environment 28 1035 (1992)
  210. Funazaki N et al. Sensors Actuators B 14 536 (1993)
  211. Corti C W, Holliday R J, Thompson D T Appl. Catal. 291 253 (2005)
  212. Biswas P C et al. J. Electroanalyt. Chem. 381 167 (1995)
  213. Zhang J et al. Science 315 220 (2007)
  214. Winther-Jensen B et al. Science 321 671 (2008)
  215. Hutchings G J Gold Bull. 37 3 (2004)
  216. Christensen C H, Nørskov J K Science 327 278 (2010)
  217. Corma A, Garcia H Chem. Soc. Rev. 37 2096 (2008)
  218. Biella S, Prati L, Rossi M J. Catal. 206 242 (2002)
  219. Christensen C H et al. Angew. Chem. Int. Ed. 45 4648 (2006)
  220. Sinha A K et al. Top Catal. 29 (3 - 4) 95 (2004)
  221. Kishi K, Daté M, Haruta M Surf. Sci. Lett. 486 L475 (2001)
  222. Landau L D, Lifshits E M Kvantovaya Mekhanika. Nerelyativistskaya Teoriya (M.: Nauka, 1974); Landau L D, Lifshitz E M Quantum Mechanics. Non-Relativistic Theory (Oxford: Pergamon Press, 1977)
  223. Lide D R (Ed.-in-Chief) Handbook Of Chemistry And Physics 86th ed. (London: CRC Press, 2003 - 2004)
  224. Bond G C, Louis C, Thompson D T Catalysis By Gold (London: Imperial College Press, 2006)
  225. Berry R S, Smirnov B M Zh. Eksp. Teor. Fiz. 140 1043 (2011); Berry R S, Smirnov B M JETP 113 907 (2011)
  226. Berry R S, Smirnov B M Europhys. Lett. 97 63003 (2012)
  227. Taylor K J et al. J. Chem. Phys. 96 3319 (1992)
  228. Smirnov B M Cluster Processes In Gases And Plasmas (Weinheim: Wiley-VCH, 2010)
  229. Berry R S, Smirnov B M Phys. Rep. 527 205 (2013)
  230. Haruta M, Daté M Appl. Catal. A 222 427 (2001)
  231. Min B K et al. J. Phys. Chem. B 110 19833 (2006)
  232. Min B K, Friend C M Chem. Rev. 107 2709 (2007)
  233. Finch R M et al. Phys. Chem. Chem. Phys. 1 485 (1999)
  234. Kahlich M J, Gasteiger H A, Behm R J J. Catal. 182 430 (1999)
  235. Avgouropoulos G et al. Catal. Lett. 73 33 (2001)
  236. Golunski S et al. Catal. Today 72 107 (2002)
  237. Avgouropoulos G et al. Catal. Today 75 157 (2002)
  238. Landon P et al. J. Mater. Chem. 16 199 (2006)
  239. Haruta M et al. Stud. Surf. Sci. Catal. 44 33 (1989)
  240. Haruta M Catal. Surv. Jpn. 1 61 (1997)
  241. Zanella R et al. J. Phys. Chem. B 106 7634 (2002)
  242. Zanella R, Delannoy L, Louis C Appl. Catal. A 291 62 (2005)
  243. Zanella R, Louis C Catal. Today 107 - 108 768 (2005)
  244. Li W-C, Comotti M, Schüth F J. Catal. 237 190 (2006)
  245. Comotti M et al. J. Am. Chem. Soc. 128 917 (2006)
  246. Guzman J, Carrettin S, Corma A J. Am. Chem. Soc. 127 3286 (2005)
  247. Sakurai H et al. Appl. Catal. A 291 179 (2005)
  248. Häkkinen H et al. Angew. Chem. Int. Ed. 42 1297 (2003)
  249. Sanchez A et al. J. Phys. Chem. A 103 9573 (1999)
  250. Yoon B et al. Science 307 403 (2005)
  251. Coquet R et al. J. Mater. Chem. 16 1978 (2006)
  252. Harding C et al. J. Am. Chem. Soc. 131 538 (2009)
  253. Ricci D et al. Phys. Rev. Lett. 97 036106 (2006)
  254. Sterrer M et al. Phys. Rev. Lett. 98 096107 (2007)
  255. Zhang C, Yoon B, Landman U J. Am. Chem. Soc. 129 2228 (2007)
  256. Perdew J P et al. Phys. Rev. B 46 6671 (1992)
  257. Perdew J P, Burke K, Ernzerhof M Phys. Rev. Lett. 77 3865 (1996)
  258. Stampfl C, Scheffler M Phys. Rev. Lett. 78 1500 (1997)
  259. Alavi A et al. Phys. Rev. Lett. 80 3650 (1998)
  260. Eichler A, Hafner J Surf. Sci. 433 - 435 58 (1999)
  261. Sanchez A et al. J. Phys. Chem. A 103 9573 (1999)
  262. Mavrikakis M, Stoltze P, Nørskov J K Catal. Lett. 64 101 (2000)
  263. Zhang C J, Hu P J. Am. Chem. Soc. 122 2134 (2000)
  264. Hammer B J. Catal. 199 171 (2001)
  265. Castellarin Cudia C et al. Phys. Rev. Lett. 87 196104 (2001)
  266. Zhang C J, Hu P, Alavi A J. Chem. Phys. 114 8113 (2001)
  267. Lopez N, Nørskov J K J. Am. Chem. Soc. 124 11262 (2002)
  268. Liu Z-P, Hu P, Alavi A J. Am. Chem. Soc. 124 14770 (2002)
  269. Liu Z-P et al. Phys. Rev. Lett. 91 266102 (2003)
  270. Molina L M, Hammer B Phys. Rev. Lett. 90 206102 (2003)
  271. Mills G, Gordon M S, Metiu H J. Chem. Phys. 118 4198 (2003)
  272. Yoon B, Häkkinen H, Landman U J. Phys. Chem. A 107 4066 (2003)
  273. Xu Y, Mavrikakis M J. Phys. Chem. B 107 9298 (2003)
  274. Molina L M, Hammer B Phys. Rev. B 69 155424 (2004)
  275. Molina L M, Hammer B Appl. Catal. A 291 21 (2005)
  276. Chen Y, Crawford P, Hu P Catal. Lett. 119 21 (2007)
  277. Heiz U, Bernhardt T M, Landman U Nanocatalysis (Eds U Heiz, U Landman) (Berlin: Springer, 2007)
  278. Kong L, Bischoff F A, Valeev E F Chem. Rev. 112 75 (2012)
  279. Moseler M, Häkkinen H, Landman U Phys. Rev. Lett. 89 176103 (2002)
  280. Cleveland C L, Luedtke W D, Landman U Phys. Rev. Lett. 81 2036 (1998)
  281. Chushak Y G, Bartell L S J. Phys. Chem. B 105 11605 (2001)
  282. Nam H-S et al. Phys. Rev. Lett. 89 275502 (2002)
  283. Haruta M Catal. Today. 36 153 (1997)
  284. Turner M et al. Nature 454 981 (2008)
  285. Goodman D W Nature 454 948 (2008)
  286. Valden M, Lai X, Goodman D W Science 281 1647 (1998)
  287. Schubert M M et al. J. Catal. 197 113 (2001)
  288. Lopez N et al. J. Catal. 223 232 (2004)
  289. Grunwaldt J-D, Baiker A J. Phys. Chem. B 103 1002 (1999)
  290. Dekkers M A P, Lippits M J, Nieuwenhuys B E Catal. Lett. 56 195 (1998)
  291. Dekkers M A P, Lippits M J, Nieuwenhuys B E Catal. Today 54 381 (1999)
  292. Bond G C, Thompson D J Gold Bull. 33 41 (2000)
  293. Liu Z-P, Hu P, Alavi A J. Am. Chem. Soc. 124 14770 (2002)
  294. Salisbury B E, Wallace W T, Whetten R L Chem. Phys. 262 131 (2000)
  295. Wallace W T, Whetten R L J. Phys. Chem. B 104 10964 (2000)
  296. Wahlström E et al. Phys. Rev. Lett. 90 026101 (2003)
  297. Lopez N et al. J. Catal. 225 86 (2004)
  298. Chen M, Goodman D W Acc. Chem. Res. 39 739 (2006)
  299. Roberts J T, Capote A J, Madix R J Surf. Sci. 253 13 (1991)
  300. Chan A S Y, Deiner L J, Friend C M J Phys. Chem. B 106 13318 (2002)
  301. Webb M J, Driver S M, King D A J. Phys. Chem. B 108 1955 (2004)
  302. Schaub R et al. Phys. Rev. Lett. 87 266104 (2001)
  303. Kung H H, Kung M C, Costello C K J. Catal. 216 425 (2003)
  304. Sanchez-Castillo M A et al. Angew. Chem. Int. Ed. 43 1140 (2004)
  305. Daté M et al. Angew. Chem. Int. Ed. 43 2129 (2004)
  306. Costello C K et al. J. Phys. Chem. B 108 12529 (2004)
  307. Liu L M et al. J. Am. Chem. Soc. 128 4017 (2006)
  308. Bongiorno A, Landman U Phys. Rev. Lett. 95 106102 (2005)
  309. Lakhno V D Klastery v Fizike, Khimii i Biologii (M. - Izhevsk: RKhD, 2001)
© 1918–2024 Uspekhi Fizicheskikh Nauk
Email: ufn@ufn.ru Editorial office contacts About the journal Terms and conditions