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%% Created for Joseph Michalka at 2012-12-13 21:28:44 -0500 |
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%% Created for Dan Gezelter at 2013-03-13 15:13:24 -0400 |
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@string{ss = {Surf. Sci.}} |
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@article{Au:melting, |
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+ |
Author = {E. Ahmed and J.I. Akhter and M. Ahmad}, |
| 78 |
+ |
Date-Added = {2013-03-13 14:10:22 +0000}, |
| 79 |
+ |
Date-Modified = {2013-03-13 14:11:17 +0000}, |
| 80 |
+ |
Journal = {Computational Materials Science}, |
| 81 |
+ |
Pages = {309-316}, |
| 82 |
+ |
Title = {Molecular dynamics study of thermal properties of noble metals}, |
| 83 |
+ |
Volume = {31}, |
| 84 |
+ |
Year = {2003}} |
| 85 |
+ |
|
| 86 |
+ |
@article{Pt:melting, |
| 87 |
+ |
Author = {Chandrani Bhattacharya and M.K. Srivastava and S.V.G. Menon}, |
| 88 |
+ |
Date-Added = {2013-03-13 14:05:19 +0000}, |
| 89 |
+ |
Date-Modified = {2013-03-13 14:10:16 +0000}, |
| 90 |
+ |
Journal = {Physica B: Condensed Matter}, |
| 91 |
+ |
Month = {July}, |
| 92 |
+ |
Pages = {4035-4040}, |
| 93 |
+ |
Title = {Melting curves of FCC-metals by cell-theory}, |
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+ |
Volume = {406}, |
| 95 |
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Year = {2011}} |
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@article{Peters:2000, |
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Author = {K.F. Peters and P. Steadman and H. Isern and J. Alvarez and S. Ferrer}, |
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Date-Added = {2013-03-07 15:24:56 +0000}, |
| 100 |
+ |
Date-Modified = {2013-03-07 15:26:12 +0000}, |
| 101 |
+ |
Journal = {Surface Science}, |
| 102 |
+ |
Keywords = {Au CO reconstruction}, |
| 103 |
+ |
Month = {August}, |
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+ |
Pages = {10-22}, |
| 105 |
+ |
Title = {Elevated-pressure chemical reactivity of carbon monoxide over Au(111)}, |
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Volume = {467}, |
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Year = {2000}} |
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@article{Piccolo:2004, |
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Author = {L. Piccolo and D. Loffreda and F. J. Cadete Santos Aires and C. Deranlot and Y. Jugnet and P. Sautet and J. C. Bertolini}, |
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Date-Added = {2013-03-06 21:18:06 +0000}, |
| 112 |
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Date-Modified = {2013-03-06 21:24:15 +0000}, |
| 113 |
+ |
Journal = {Surface Science}, |
| 114 |
+ |
Keywords = {Au and (111) and CO}, |
| 115 |
+ |
Month = {June}, |
| 116 |
+ |
Pages = {995-1000}, |
| 117 |
+ |
Title = {The adsorption of CO on Au(111) at elevated pressures studied by STM, RAIRS, and DFT calculations}, |
| 118 |
+ |
Volume = {566-568}, |
| 119 |
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Year = {2004}} |
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@article{StreitzMintmire:1994, |
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Author = {F. H. Streitz and J. W. Mintmire}, |
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Date-Added = {2013-02-28 15:09:44 +0000}, |
| 124 |
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Date-Modified = {2013-02-28 15:11:07 +0000}, |
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Journal = {Phys. Rev. B}, |
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| 127 |
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| 128 |
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Pages = {11996-12003}, |
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Title = {Electrostatic potentials for metal-oxide surfaces and interfaces}, |
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Volume = {50}, |
| 131 |
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Year = {1994}} |
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@article{Williams:1994, |
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Author = {Ellen D. Williams}, |
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Date-Added = {2013-02-20 19:36:23 +0000}, |
| 136 |
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Date-Modified = {2013-02-20 19:38:05 +0000}, |
| 137 |
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Journal = {Surface Science}, |
| 138 |
+ |
Pages = {502-524}, |
| 139 |
+ |
Rating = {5}, |
| 140 |
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Title = {Surface steps and surface morphology: understanding macroscopic phenomena from atomic observations}, |
| 141 |
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Volume = {299/300}, |
| 142 |
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Year = {1994}} |
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@article{Williams:1991, |
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Author = {Ellen D. Williams and N. C. Bartelt}, |
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Date-Added = {2013-02-20 18:53:30 +0000}, |
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Date-Modified = {2013-02-20 18:55:16 +0000}, |
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Journal = {Science}, |
| 149 |
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Keywords = {steps}, |
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Month = {January}, |
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Pages = {393-400}, |
| 152 |
+ |
Title = {Thermodynamics of Surface Morphology}, |
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Volume = {251}, |
| 154 |
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Year = {1991}} |
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Author = {T. P. Pearl and S. J. Sibener}, |
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Date-Added = {2013-01-21 21:18:40 +0000}, |
| 159 |
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Date-Modified = {2013-01-21 21:20:29 +0000}, |
| 160 |
+ |
Journal = {J. Chem. Phys.}, |
| 161 |
+ |
Keywords = {Zipper}, |
| 162 |
+ |
Month = {July}, |
| 163 |
+ |
Number = {4}, |
| 164 |
+ |
Pages = {1916}, |
| 165 |
+ |
Title = {Oxygen driven reconstruction dynamics of Ni(977) measured by time-lapse scanning tunneling microscopy}, |
| 166 |
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Volume = {115}, |
| 167 |
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Year = {2001}} |
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@article{McCarthy:2012, |
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Author = {D. N. McCarthy and C. E. Strebel and T. P. Johansson and A. den Dunnen and A. Nierhoff and J. H. Nielsen and Ib Chorkendorff}, |
| 171 |
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Date-Added = {2013-01-09 20:03:45 +0000}, |
| 172 |
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Date-Modified = {2013-01-09 20:06:33 +0000}, |
| 173 |
+ |
Journal = {J. Phys. Chem. C}, |
| 174 |
+ |
Keywords = {Mobility}, |
| 175 |
+ |
Month = {June}, |
| 176 |
+ |
Pages = {15353}, |
| 177 |
+ |
Title = {Structural Modification of Platinum Model Systems under High Pressure CO Annealing}, |
| 178 |
+ |
Volume = {116}, |
| 179 |
+ |
Year = {2012}} |
| 180 |
+ |
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@article{PhysRevB.13.5188, |
| 182 |
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Author = {Monkhorst, Hendrik J. and Pack, James D.}, |
| 183 |
+ |
Date-Added = {2012-12-14 16:27:06 +0000}, |
| 184 |
+ |
Date-Modified = {2012-12-14 16:27:06 +0000}, |
| 185 |
+ |
Doi = {10.1103/PhysRevB.13.5188}, |
| 186 |
+ |
Journal = prb, |
| 187 |
+ |
Month = {Jun}, |
| 188 |
+ |
Number = {12}, |
| 189 |
+ |
Numpages = {4}, |
| 190 |
+ |
Pages = {5188--5192}, |
| 191 |
+ |
Publisher = {American Physical Society}, |
| 192 |
+ |
Title = {Special points for Brillouin-zone integrations}, |
| 193 |
+ |
Volume = {13}, |
| 194 |
+ |
Year = {1976}, |
| 195 |
+ |
Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevB.13.5188}} |
| 196 |
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| 197 |
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@article{PhysRevB.59.1758, |
| 198 |
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Author = {Kresse, G. and Joubert, D.}, |
| 199 |
+ |
Date-Added = {2012-12-14 16:26:58 +0000}, |
| 200 |
+ |
Date-Modified = {2012-12-14 16:26:58 +0000}, |
| 201 |
+ |
Doi = {10.1103/PhysRevB.59.1758}, |
| 202 |
+ |
Journal = prb, |
| 203 |
+ |
Month = {Jan}, |
| 204 |
+ |
Number = {3}, |
| 205 |
+ |
Numpages = {17}, |
| 206 |
+ |
Pages = {1758--1775}, |
| 207 |
+ |
Publisher = {American Physical Society}, |
| 208 |
+ |
Title = {From ultrasoft pseudopotentials to the projector augmented-wave method}, |
| 209 |
+ |
Volume = {59}, |
| 210 |
+ |
Year = {1999}, |
| 211 |
+ |
Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevB.59.1758}} |
| 212 |
+ |
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| 213 |
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@article{PhysRevB.50.17953, |
| 214 |
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Author = {Bl\"ochl, P. E.}, |
| 215 |
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Date-Added = {2012-12-14 16:26:51 +0000}, |
| 216 |
+ |
Date-Modified = {2012-12-14 16:26:51 +0000}, |
| 217 |
+ |
Doi = {10.1103/PhysRevB.50.17953}, |
| 218 |
+ |
Journal = prb, |
| 219 |
+ |
Month = {Dec}, |
| 220 |
+ |
Number = {24}, |
| 221 |
+ |
Numpages = {26}, |
| 222 |
+ |
Pages = {17953--17979}, |
| 223 |
+ |
Publisher = {American Physical Society}, |
| 224 |
+ |
Title = {Projector augmented-wave method}, |
| 225 |
+ |
Volume = {50}, |
| 226 |
+ |
Year = {1994}, |
| 227 |
+ |
Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevB.50.17953}} |
| 228 |
+ |
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@article{Tao2008, |
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Author = {F. Tao and M.~E. Grass and Y. Zhang and D.~R. Butcher and J.~R. Renzas and Z. Liu and J.~Y. Chung and B. S. Mun and M. Salmeron and G.~A. Somorjai}, |
| 231 |
+ |
Date-Added = {2012-12-15 22:06:57 +0000}, |
| 232 |
+ |
Date-Modified = {2012-12-15 22:12:10 +0000}, |
| 233 |
+ |
Journal = {Science}, |
| 234 |
+ |
Month = {November}, |
| 235 |
+ |
Pages = {932}, |
| 236 |
+ |
Title = {Reaction-Driven Restructuring of Rh-Pd and Pt-Pd Core-Shell Nanoparticles}, |
| 237 |
+ |
Volume = {322}, |
| 238 |
+ |
Year = {2008}} |
| 239 |
+ |
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| 240 |
+ |
@article{Tao2011, |
| 241 |
+ |
Author = {F. Tao and M. Salmeron}, |
| 242 |
+ |
Date-Added = {2012-12-15 22:05:07 +0000}, |
| 243 |
+ |
Date-Modified = {2012-12-15 22:06:26 +0000}, |
| 244 |
+ |
Journal = {Science}, |
| 245 |
+ |
Month = {Jan}, |
| 246 |
+ |
Pages = {171}, |
| 247 |
+ |
Title = {In Situ Studies of Chemistry and Structure of Materials in Reactive Environments}, |
| 248 |
+ |
Volume = {331}, |
| 249 |
+ |
Year = {2011}} |
| 250 |
+ |
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+ |
@inproceedings{TPDGold, |
| 252 |
+ |
Author = {G.~S. Elliott and D.~R. Miller}, |
| 253 |
+ |
Booktitle = {Rarefied gas dynamics:}, |
| 254 |
+ |
Date-Added = {2012-12-14 21:32:06 +0000}, |
| 255 |
+ |
Date-Modified = {2013-03-13 19:13:16 +0000}, |
| 256 |
+ |
Editor = {H. Oguchi}, |
| 257 |
+ |
Pages = {349-58}, |
| 258 |
+ |
Publisher = {University of Tokyo Press}, |
| 259 |
+ |
Series = {Proc. 14th Int. Symp. on Rarefied Gas Dynamics}, |
| 260 |
+ |
Title = {Helium Scattering from \ce{CO} Adsorbed on \ce{Au}(111)}, |
| 261 |
+ |
Volume = {1}, |
| 262 |
+ |
Year = {1984}} |
| 263 |
+ |
|
| 264 |
+ |
@article{Ewald, |
| 265 |
+ |
Author = {C. J. Fennell and J. D. Gezelter}, |
| 266 |
+ |
Date-Added = {2012-12-14 04:22:33 +0000}, |
| 267 |
+ |
Date-Modified = {2012-12-14 04:23:31 +0000}, |
| 268 |
+ |
Journal = {J. Chem. Phys.}, |
| 269 |
+ |
Keywords = {Ewald and OpenMD}, |
| 270 |
+ |
Month = {June}, |
| 271 |
+ |
Pages = {234104}, |
| 272 |
+ |
Title = {Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics}, |
| 273 |
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Volume = {124}, |
| 274 |
+ |
Year = {2006}} |
| 275 |
+ |
|
| 276 |
+ |
@article{OOPSE, |
| 277 |
+ |
Author = {Meineke, Matthew A. and Vardeman, Charles F. and Lin, Teng and Fennell, Christopher J. and Gezelter, J. Daniel}, |
| 278 |
+ |
Date-Added = {2012-12-14 04:19:33 +0000}, |
| 279 |
+ |
Date-Modified = {2012-12-14 04:19:40 +0000}, |
| 280 |
+ |
Doi = {10.1002/jcc.20161}, |
| 281 |
+ |
Issn = {1096-987X}, |
| 282 |
+ |
Journal = {Journal of Computational Chemistry}, |
| 283 |
+ |
Keywords = {OOPSE, molecular dynamics}, |
| 284 |
+ |
Number = {3}, |
| 285 |
+ |
Pages = {252--271}, |
| 286 |
+ |
Publisher = {Wiley Subscription Services, Inc., A Wiley Company}, |
| 287 |
+ |
Title = {OOPSE: An object-oriented parallel simulation engine for molecular dynamics}, |
| 288 |
+ |
Url = {http://dx.doi.org/10.1002/jcc.20161}, |
| 289 |
+ |
Volume = {26}, |
| 290 |
+ |
Year = {2005}, |
| 291 |
+ |
Bdsk-Url-1 = {http://dx.doi.org/10.1002/jcc.20161}} |
| 292 |
+ |
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| 293 |
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@article{Monkhorst:1976, |
| 294 |
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Author = {Monkhorst, Hendrik J. and Pack, James D.}, |
| 295 |
|
Date-Added = {2012-12-14 02:25:00 +0000}, |
| 389 |
|
Title = {A Periodic Density Functional Theory Analysis of CO Chemisorption on Pt(111) in the Presence of Uniform Electric Fields}, |
| 390 |
|
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| 391 |
|
Year = {2009}, |
| 392 |
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| 393 |
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| 394 |
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@article{Ertl:1977, |
| 395 |
|
Author = {G. Ertl and M. Neumann and K.M. Streit}, |
| 402 |
|
Title = {Chemisorption of CO on the Pt(111) Surface}, |
| 403 |
|
Volume = {64}, |
| 404 |
|
Year = {1977}, |
| 405 |
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| 406 |
|
|
| 407 |
|
@article{Hopster:1978, |
| 408 |
|
Author = {H. Hopster and H. Ibach}, |
| 415 |
|
Title = {Adsorption of CO on Pt(111) and Pt 6(111) X (111) Studied by High Resolution Electron Energy Loss Spectroscopy and Thermal Desorption Spectroscopy}, |
| 416 |
|
Volume = {77}, |
| 417 |
|
Year = {1978}, |
| 418 |
< |
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| 418 |
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| 419 |
|
|
| 420 |
|
@article{Pons:1986, |
| 421 |
|
Author = {C. Korzeniewski and S. Pons and P. P. Schmidt and M. W. Severson}, |
| 1052 |
|
Date-Modified = {2012-12-10 16:17:52 +0000}, |
| 1053 |
|
Journal = jcp, |
| 1054 |
|
Pages = {5175-5176}, |
| 1055 |
< |
Title = {Transport Coefficients of Liquid Transition Metals: \Uppercase{A} Computer Simulation Study Using the Embedded Atom Model}, |
| 1055 |
> |
Title = {Transport Coefficients of Liquid Transition Metals: A Computer Simulation Study Using the Embedded Atom Model}, |
| 1056 |
|
Volume = 109, |
| 1057 |
|
Year = 1998} |
| 1058 |
|
|
| 1092 |
|
Date-Modified = {2012-12-10 16:17:07 +0000}, |
| 1093 |
|
Journal = prb, |
| 1094 |
|
Pages = {7441-7452}, |
| 1095 |
< |
Title = {Model of Metallic Cohesion: \Uppercase{T}He Embedded-Atom Method}, |
| 1095 |
> |
Title = {Model of Metallic Cohesion: The Embedded-Atom Method}, |
| 1096 |
|
Volume = 39, |
| 1097 |
|
Year = 1989} |
| 1098 |
|
|
| 1114 |
|
Journal = prb, |
| 1115 |
|
Number = 12, |
| 1116 |
|
Pages = {6443-6453}, |
| 1117 |
< |
Title = {Embedded-Atom Method: \Uppercase{D}Erivation and Application to Impurities, Surfaces, And Other Defects in Metals}, |
| 1117 |
> |
Title = {Embedded-Atom Method: Derivation and Application to Impurities, Surfaces, And Other Defects in Metals}, |
| 1118 |
|
Volume = 29, |
| 1119 |
|
Year = 1984} |
| 1120 |
|
|
| 1274 |
|
Z8 = {58}, |
| 1275 |
|
Z9 = {3909}, |
| 1276 |
|
Zb = {17}, |
| 1277 |
< |
Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevB.49.14251}, |
| 1278 |
< |
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| 1278 |
> |
Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevB.49.14251}} |
| 1279 |
|
|
| 1280 |
|
@article{doi:10.1126/science.1182122, |
| 1281 |
|
Abstract = {Stepped single-crystal surfaces are viewed as models of real catalysts, which consist of small metal particles exposing a large number of low-coordination sites. We found that stepped platinum (Pt) surfaces can undergo extensive and reversible restructuring when exposed to carbon monoxide (CO) at pressures above 0.1 torr. Scanning tunneling microscopy and photoelectron spectroscopy studies under gaseous environments near ambient pressure at room temperature revealed that as the CO surface coverage approaches 100%, the originally flat terraces of (557) and (332) oriented Pt crystals break up into nanometer-sized clusters and revert to the initial morphology after pumping out the CO gas. Density functional theory calculations provide a rationale for the observations whereby the creation of increased concentrations of low-coordination Pt edge sites in the formed nanoclusters relieves the strong CO-CO repulsion in the highly compressed adsorbate film. This restructuring phenomenon has important implications for heterogeneous catalytic reactions.}, |
| 1324 |
|
Url = {http://link.aps.org/doi/10.1103/PhysRevB.39.7441}, |
| 1325 |
|
Volume = {39}, |
| 1326 |
|
Year = {1989}, |
| 1327 |
< |
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| 1327 |
> |
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| 1328 |
|
Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevB.39.7441}, |
| 1329 |
|
Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.39.7441}} |
| 1330 |
|
|
| 1340 |
|
Title = {Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys}, |
| 1341 |
|
Volume = {33}, |
| 1342 |
|
Year = {1986}, |
| 1343 |
< |
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| 1344 |
|
|
| 1345 |
|
@article{doi:10.1021/jp0665729, |
| 1346 |
|
Author = {Yim, Wai-Leung and Nowitzki, Tobias and Necke, Mandus and Schnars, Hanno and Nickut, Patricia and Biener, J{\"u}rgen and Biener, Monika M. and Zielasek, Volkmar and Al-Shamery, Katharina and Kl{\"u}ner, Thorsten and B{\"a}umer, Marcus}, |
| 1369 |
|
Title = {Molecular Dynamics Study of the Photodissociation of Carbon Monoxide from Myoglobin: Ligand Dynamics in the first 10 ps}, |
| 1370 |
|
Volume = {158}, |
| 1371 |
|
Year = {1991}, |
| 1372 |
< |
Bdsk-File-1 = {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}} |
| 1372 |
> |
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| 1373 |
|
|
| 1374 |
|
@article{Yeo, |
| 1375 |
|
Abstract = {Single crystal adsorption calorimetry was applied to investigate the heats of adsorption of CO and oxygen and the reaction heats for the CO oxidation process on Pt111 at room temperature. Both sticking probabilities and heats of adsorption for CO and oxygen are presented as a function of coverage. These results are used to interpret the subsequent measurements taken for the CO oxidation process on the same surface. The initial heats of adsorption of CO and oxygen on Pt111 are 1808 and 33932 kJ/mol, respectively. In addition the pairwise lateral repulsive interaction between CO molecules in a 33R30$\,^{\circ}$ ordered layer at 1/3 is found to be 4 kJ/mol. A detailed Monte Carlo modeling of the dissociative adsorption and sticking probability of oxygen on Pt111 is performed. The initial rapid fall in heat is attributed to adsorption on defect sites, and subsequent adsorption on the planar 111 surface proceeds with a third neighbor interaction energy between the oxygen adatoms 322 kJ/mol. When gaseous CO reacts with preadsorbed oxygen adatoms, the CO2 produced has an excess energy of 168 kJ/mol. {\copyright} 1997 American Institute of Physics. S0021-96069702601-9}, |
| 1383 |
|
Title = {Calorimetric heats for CO and oxygen adsorption and for the catalytic CO oxidation reaction on Pt{111}}, |
| 1384 |
|
Volume = {106}, |
| 1385 |
|
Year = {1997}, |
| 1386 |
< |
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| 1386 |
> |
Bdsk-File-1 = {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}} |
| 1387 |
|
|
| 1388 |
|
@article{Feibelman:2001, |
| 1389 |
|
Abstract = {Notwithstanding half a dozen theoretical publications, well-converged density- functional calculations, whether based on a local-density or generalized-gradient exchange-correlation potential, whether all-electron or employing pseudopotentials, underestimate CO's preference for low-coordination binding sites on Pt(111) and vicinals to it. For example, they imply that CO should prefer hollow- to atop-site adsorption on Pt(111), in apparent contradiction to a host of low-temperature experimental studies.}, |
| 1396 |
|
Title = {The CO/Pt(111) Puzzle}, |
| 1397 |
|
Volume = {105}, |
| 1398 |
|
Year = {2001}, |
| 1399 |
< |
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| 1399 |
> |
Bdsk-File-1 = {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}} |
| 1400 |
|
|
| 1401 |
|
@article{Kelemen:1979, |
| 1402 |
|
Abstract = {The desorption of CO from clean Pt(lll) and (loo), and from the same surfaces with par- tial overlayers of sulfur, was studied by Thermal Desorption Spectroscopy. The method of desorption rate isotherms was employed for data analysis. The desorption of CO from the (Ill) surface and both surfaces with ordered sulfur overlayers can be described as a first order process with coverage dependent activation energies. The desorption of CO from the clean Pt(100) surface is complicated by the dynamic interaction of the molecule with a thermally activated change of platinum surface structure. On both platinum faces surface sulfur decreases the initial binding energy of CO. As the CO concentration increases, its binding energy decreases very rapidly. This is due to a repulsive interaction which exists between co-adsorbed species.}, |
| 1410 |
|
Read = {1}, |
| 1411 |
|
Title = {The Binding Energy of CO on Clean and Sulfur Covered Platinum Surfaces}, |
| 1412 |
|
Year = {1979}, |
| 1413 |
< |
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| 1413 |
> |
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