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Comparing trunk/COonPt/firstTryBibliography.bib (file contents):
Revision 3808 by gezelter, Mon Dec 10 16:46:27 2012 UTC vs.
Revision 3869 by jmichalk, Tue Mar 5 22:54:02 2013 UTC

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4  
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73   @string{ss = {Surf. Sci.}}
74  
75  
76 + @article{StreitzMintmire:1994,
77 +        Author = {F. H. Streitz and J. W. Mintmire},
78 +        Date-Added = {2013-02-28 15:09:44 +0000},
79 +        Date-Modified = {2013-02-28 15:11:07 +0000},
80 +        Journal = {Phys. Rev. B},
81 +        Month = {October},
82 +        Number = {16},
83 +        Pages = {11996-12003},
84 +        Title = {Electrostatic potentials for metal-oxide surfaces and interfaces},
85 +        Volume = {50},
86 +        Year = {1994}}
87 +
88 + @article{Williams:1994,
89 +        Author = {Ellen D. Williams},
90 +        Date-Added = {2013-02-20 19:36:23 +0000},
91 +        Date-Modified = {2013-02-20 19:38:05 +0000},
92 +        Journal = {Surface Science},
93 +        Pages = {502-524},
94 +        Rating = {5},
95 +        Title = {Surface steps and surface morphology: understanding macroscopic phenomena from atomic observations},
96 +        Volume = {299/300},
97 +        Year = {1994}}
98 +
99 + @article{Williams:1991,
100 +        Author = {Ellen D. Williams and N. C. Bartelt},
101 +        Date-Added = {2013-02-20 18:53:30 +0000},
102 +        Date-Modified = {2013-02-20 18:55:16 +0000},
103 +        Journal = {Science},
104 +        Keywords = {steps},
105 +        Month = {January},
106 +        Pages = {393-400},
107 +        Title = {Thermodynamics of Surface Morphology},
108 +        Volume = {251},
109 +        Year = {1991}}
110 +
111 + @article{Pearl,
112 +        Author = {T. P. Pearl and S. J. Sibener},
113 +        Date-Added = {2013-01-21 21:18:40 +0000},
114 +        Date-Modified = {2013-01-21 21:20:29 +0000},
115 +        Journal = {J. Chem. Phys.},
116 +        Keywords = {Zipper},
117 +        Month = {July},
118 +        Number = {4},
119 +        Pages = {1916},
120 +        Title = {Oxygen driven reconstruction dynamics of Ni(977) measured by time-lapse scanning tunneling microscopy},
121 +        Volume = {115},
122 +        Year = {2001}}
123 +
124 + @article{McCarthy:2012,
125 +        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},
126 +        Date-Added = {2013-01-09 20:03:45 +0000},
127 +        Date-Modified = {2013-01-09 20:06:33 +0000},
128 +        Journal = {J. Phys. Chem. C},
129 +        Keywords = {Mobility},
130 +        Month = {June},
131 +        Pages = {15353},
132 +        Title = {Structural Modification of Platinum Model Systems under High Pressure CO Annealing},
133 +        Volume = {116},
134 +        Year = {2012}}
135 +
136 + @article{PhysRevB.13.5188,
137 +        Author = {Monkhorst, Hendrik J. and Pack, James D.},
138 +        Date-Added = {2012-12-14 16:27:06 +0000},
139 +        Date-Modified = {2012-12-14 16:27:06 +0000},
140 +        Doi = {10.1103/PhysRevB.13.5188},
141 +        Journal = prb,
142 +        Month = {Jun},
143 +        Number = {12},
144 +        Numpages = {4},
145 +        Pages = {5188--5192},
146 +        Publisher = {American Physical Society},
147 +        Title = {Special points for Brillouin-zone integrations},
148 +        Volume = {13},
149 +        Year = {1976},
150 +        Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevB.13.5188}}
151 +
152 + @article{PhysRevB.59.1758,
153 +        Author = {Kresse, G. and Joubert, D.},
154 +        Date-Added = {2012-12-14 16:26:58 +0000},
155 +        Date-Modified = {2012-12-14 16:26:58 +0000},
156 +        Doi = {10.1103/PhysRevB.59.1758},
157 +        Journal = prb,
158 +        Month = {Jan},
159 +        Number = {3},
160 +        Numpages = {17},
161 +        Pages = {1758--1775},
162 +        Publisher = {American Physical Society},
163 +        Title = {From ultrasoft pseudopotentials to the projector augmented-wave method},
164 +        Volume = {59},
165 +        Year = {1999},
166 +        Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevB.59.1758}}
167 +
168 + @article{PhysRevB.50.17953,
169 +        Author = {Bl\"ochl, P. E.},
170 +        Date-Added = {2012-12-14 16:26:51 +0000},
171 +        Date-Modified = {2012-12-14 16:26:51 +0000},
172 +        Doi = {10.1103/PhysRevB.50.17953},
173 +        Journal = prb,
174 +        Month = {Dec},
175 +        Number = {24},
176 +        Numpages = {26},
177 +        Pages = {17953--17979},
178 +        Publisher = {American Physical Society},
179 +        Title = {Projector augmented-wave method},
180 +        Volume = {50},
181 +        Year = {1994},
182 +        Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevB.50.17953}}
183 +
184 + @article{Tao2008,
185 +        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},
186 +        Date-Added = {2012-12-15 22:06:57 +0000},
187 +        Date-Modified = {2012-12-15 22:12:10 +0000},
188 +        Journal = {Science},
189 +        Month = {November},
190 +        Pages = {932},
191 +        Title = {Reaction-Driven Restructuring of Rh-Pd and Pt-Pd Core-Shell Nanoparticles},
192 +        Volume = {322},
193 +        Year = {2008}}
194 +
195 + @article{Tao2011,
196 +        Author = {F. Tao and M. Salmeron},
197 +        Date-Added = {2012-12-15 22:05:07 +0000},
198 +        Date-Modified = {2012-12-15 22:06:26 +0000},
199 +        Journal = {Science},
200 +        Month = {Jan},
201 +        Pages = {171},
202 +        Title = {In Situ Studies of Chemistry and Structure of Materials in Reactive Environments},
203 +        Volume = {331},
204 +        Year = {2011}}
205 +
206 + @article{TPD_Gold,
207 +        Author = {G. S. Elliot and D. R. Miller},
208 +        Date-Added = {2012-12-14 21:32:06 +0000},
209 +        Date-Modified = {2012-12-14 21:33:43 +0000},
210 +        Journal = {Proc. 14th Int. Symp. on Rarefied Gas Dynamics},
211 +        Pages = {349-58},
212 +        Year = {1984}}
213 +
214 + @article{Ewald,
215 +        Author = {C. J. Fennell and J. D. Gezelter},
216 +        Date-Added = {2012-12-14 04:22:33 +0000},
217 +        Date-Modified = {2012-12-14 04:23:31 +0000},
218 +        Journal = {J. Chem. Phys.},
219 +        Keywords = {Ewald and OpenMD},
220 +        Month = {June},
221 +        Pages = {234104},
222 +        Title = {Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics},
223 +        Volume = {124},
224 +        Year = {2006}}
225 +
226 + @article{OOPSE,
227 +        Author = {Meineke, Matthew A. and Vardeman, Charles F. and Lin, Teng and Fennell, Christopher J. and Gezelter, J. Daniel},
228 +        Date-Added = {2012-12-14 04:19:33 +0000},
229 +        Date-Modified = {2012-12-14 04:19:40 +0000},
230 +        Doi = {10.1002/jcc.20161},
231 +        Issn = {1096-987X},
232 +        Journal = {Journal of Computational Chemistry},
233 +        Keywords = {OOPSE, molecular dynamics},
234 +        Number = {3},
235 +        Pages = {252--271},
236 +        Publisher = {Wiley Subscription Services, Inc., A Wiley Company},
237 +        Title = {OOPSE: An object-oriented parallel simulation engine for molecular dynamics},
238 +        Url = {http://dx.doi.org/10.1002/jcc.20161},
239 +        Volume = {26},
240 +        Year = {2005},
241 +        Bdsk-Url-1 = {http://dx.doi.org/10.1002/jcc.20161}}
242 +
243 + @article{Monkhorst:1976,
244 +        Author = {Monkhorst, Hendrik J. and Pack, James D.},
245 +        Date-Added = {2012-12-14 02:25:00 +0000},
246 +        Date-Modified = {2012-12-14 02:25:11 +0000},
247 +        Doi = {10.1103/PhysRevB.13.5188},
248 +        Issue = {12},
249 +        Journal = {Phys. Rev. B},
250 +        Month = {Jun},
251 +        Pages = {5188--5192},
252 +        Publisher = {American Physical Society},
253 +        Title = {Special points for Brillouin-zone integrations},
254 +        Url = {http://link.aps.org/doi/10.1103/PhysRevB.13.5188},
255 +        Volume = {13},
256 +        Year = {1976},
257 +        Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevB.13.5188},
258 +        Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.13.5188}}
259 +
260 + @article{Perdew_GGA,
261 +        Author = {Perdew, John P. and Burke, Kieron and Ernzerhof, Matthias},
262 +        Date-Added = {2012-12-14 01:59:04 +0000},
263 +        Date-Modified = {2012-12-14 01:59:12 +0000},
264 +        Doi = {10.1103/PhysRevLett.77.3865},
265 +        Issue = {18},
266 +        Journal = {Phys. Rev. Lett.},
267 +        Month = {Oct},
268 +        Pages = {3865--3868},
269 +        Publisher = {American Physical Society},
270 +        Title = {Generalized Gradient Approximation Made Simple},
271 +        Url = {http://link.aps.org/doi/10.1103/PhysRevLett.77.3865},
272 +        Volume = {77},
273 +        Year = {1996},
274 +        Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.77.3865},
275 +        Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.77.3865}}
276 +
277 + @article{RRKJ_PP,
278 +        Author = {Rappe, Andrew M. and Rabe, Karin M. and Kaxiras, Efthimios and Joannopoulos, J. D.},
279 +        Date-Added = {2012-12-14 01:39:59 +0000},
280 +        Date-Modified = {2012-12-14 01:40:21 +0000},
281 +        Doi = {10.1103/PhysRevB.41.1227},
282 +        Issue = {2},
283 +        Journal = {Phys. Rev. B},
284 +        Month = {Jan},
285 +        Pages = {1227--1230},
286 +        Publisher = {American Physical Society},
287 +        Title = {Optimized pseudopotentials},
288 +        Url = {http://link.aps.org/doi/10.1103/PhysRevB.41.1227},
289 +        Volume = {41},
290 +        Year = {1990},
291 +        Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevB.41.1227},
292 +        Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.41.1227}}
293 +
294 + @article{QE-2009,
295 +        Author = {Paolo Giannozzi and Stefano Baroni and Nicola Bonini and Matteo Calandra and Roberto Car and Carlo Cavazzoni and Davide Ceresoli and Guido L Chiarotti and Matteo Cococcioni and Ismaila Dabo and Andrea {Dal Corso} and Stefano de Gironcoli and Stefano Fabris and Guido Fratesi and Ralph Gebauer and Uwe Gerstmann and Christos Gougoussis and Anton Kokalj and Michele Lazzeri and Layla Martin-Samos and Nicola Marzari and Francesco Mauri and Riccardo Mazzarello and Stefano Paolini and Alfredo Pasquarello and Lorenzo Paulatto and Carlo Sbraccia and Sandro Scandolo and Gabriele Sclauzero and Ari P Seitsonen and Alexander Smogunov and Paolo Umari and Renata M Wentzcovitch},
296 +        Date-Added = {2012-12-14 01:34:50 +0000},
297 +        Date-Modified = {2012-12-14 01:34:50 +0000},
298 +        Journal = {Journal of Physics: Condensed Matter},
299 +        Number = {39},
300 +        Pages = {395502 (19pp)},
301 +        Title = {QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials},
302 +        Url = {http://www.quantum-espresso.org},
303 +        Volume = {21},
304 +        Year = {2009},
305 +        Bdsk-Url-1 = {http://www.quantum-espresso.org}}
306 +
307 + @article{Deshlahra:2012,
308 +        Author = {P. Deshlahra and J. Conway and E. E. Wolf and W. F. Schneider},
309 +        Date-Added = {2012-12-13 20:31:25 +0000},
310 +        Date-Modified = {2012-12-13 20:32:44 +0000},
311 +        Journal = {Langumuir},
312 +        Keywords = {Dipole Interactions CO Pt},
313 +        Month = {April},
314 +        Pages = {8408},
315 +        Title = {Influence of Dipole-Dipole Interactions on Coverage-Dependent Adsorption: CO and NO on Pt(111)},
316 +        Volume = {28},
317 +        Year = {2012}}
318 +
319 + @article{Mason:2004,
320 +        Author = {S. E. Mason and I. Grinberg and A. M. Rappe},
321 +        Date-Added = {2012-12-13 20:23:19 +0000},
322 +        Date-Modified = {2012-12-13 20:24:28 +0000},
323 +        Journal = {Phys. Rev. B},
324 +        Keywords = {CO},
325 +        Month = {April},
326 +        Pages = {161401},
327 +        Title = {First-principles extrapolation method for accurate CO adsorption energies on metal surfaces},
328 +        Volume = {69},
329 +        Year = {2004}}
330 +
331 + @article{Deshlahra:2009,
332 +        Author = {P. Deshlahra and E. E. Wolf and W. F. Schneider},
333 +        Date-Added = {2012-12-13 20:06:26 +0000},
334 +        Date-Modified = {2012-12-13 20:07:35 +0000},
335 +        Journal = {J. Phys. Chem. A},
336 +        Keywords = {DFT CO Electric Fields},
337 +        Month = {February},
338 +        Pages = {4125},
339 +        Title = {A Periodic Density Functional Theory Analysis of CO Chemisorption on Pt(111) in the Presence of Uniform Electric Fields},
340 +        Volume = {113},
341 +        Year = {2009},
342 +        Bdsk-File-1 = {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}}
343 +
344 + @article{Ertl:1977,
345 +        Author = {G. Ertl and M. Neumann and K.M. Streit},
346 +        Date-Added = {2012-12-13 20:00:24 +0000},
347 +        Date-Modified = {2012-12-13 20:01:14 +0000},
348 +        Journal = {Surface Science},
349 +        Keywords = {CO Pt(111)},
350 +        Month = {January},
351 +        Pages = {393},
352 +        Title = {Chemisorption of CO on the Pt(111) Surface},
353 +        Volume = {64},
354 +        Year = {1977},
355 +        Bdsk-File-1 = {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}}
356 +
357 + @article{Hopster:1978,
358 +        Author = {H. Hopster and H. Ibach},
359 +        Date-Added = {2012-12-13 19:51:30 +0000},
360 +        Date-Modified = {2012-12-13 19:53:17 +0000},
361 +        Journal = {Surface Science},
362 +        Keywords = {EELS CO Pt},
363 +        Month = {April},
364 +        Pages = {109},
365 +        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},
366 +        Volume = {77},
367 +        Year = {1978},
368 +        Bdsk-File-1 = {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}}
369 +
370 + @article{Pons:1986,
371 +        Author = {C. Korzeniewski and S. Pons and P. P. Schmidt and M. W. Severson},
372 +        Date-Added = {2012-12-13 18:56:39 +0000},
373 +        Date-Modified = {2012-12-13 18:58:47 +0000},
374 +        Journal = {J. Chem. Phys.},
375 +        Keywords = {CO parameters},
376 +        Month = {June},
377 +        Pages = {4153},
378 +        Title = {A theoretical analysis of the vibrational spectrum of carbon monoxide on platinum metal electrodes},
379 +        Volume = {85},
380 +        Year = {1986}}
381 +
382 + @article{QuadrupoleCOCalc,
383 +        Author = {A. Rizzo and S. Coriani and A. Halkier and C. H{\"a}ttig},
384 +        Date-Added = {2012-12-13 17:53:33 +0000},
385 +        Date-Modified = {2012-12-13 18:59:05 +0000},
386 +        Journal = {J. Chem. Phys.},
387 +        Keywords = {Quadrupole; Ab initio},
388 +        Month = {May},
389 +        Pages = {3077},
390 +        Title = {Ab initio study of the electric-field-gradient-indeuced birefringence of a polar molecule: CO},
391 +        Volume = {113},
392 +        Year = {2000}}
393 +
394 + @article{QuadrupoleCO,
395 +        Author = {N. Chetty and V.~W. Couling},
396 +        Date-Added = {2012-12-12 21:36:59 +0000},
397 +        Date-Modified = {2012-12-12 21:38:48 +0000},
398 +        Journal = {J. Chem. Phys.},
399 +        Keywords = {CO; Quadrupole},
400 +        Month = {April},
401 +        Pages = {164307},
402 +        Title = {Measurement of the electric quadrupole moment of CO},
403 +        Volume = {134},
404 +        Year = {2011}}
405 +
406   @article{Tao:2010,
407          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.},
408          Author = {Tao, Feng and Dag, Sefa and Wang, Lin-Wang and Liu, Zhi and Butcher, Derek R. and Bluhm, Hendrik and Salmeron, Miquel and Somorjai, Gabor A.},
# Line 894 | Line 1224 | and suggest a reaction mechanism which is not observed
1224          Z8 = {58},
1225          Z9 = {3909},
1226          Zb = {17},
1227 +        Bdsk-File-1 = {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},
1228          Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevB.49.14251}}
1229  
1230   @article{doi:10.1126/science.1182122,
# Line 959 | Line 1290 | and suggest a reaction mechanism which is not observed
1290          Title = {Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys},
1291          Volume = {33},
1292          Year = {1986},
1293 <        Bdsk-File-1 = {YnBsaXN0MDDUAQIDBAUIJidUJHRvcFgkb2JqZWN0c1gkdmVyc2lvblkkYXJjaGl2ZXLRBgdUcm9vdIABqAkKFRYXGyIjVSRudWxs0wsMDQ4RElpOUy5vYmplY3RzViRjbGFzc1dOUy5rZXlzog8QgASABoAHohMUgAKAA1lhbGlhc0RhdGFccmVsYXRpdmVQYXRo0hgMGRpXTlMuZGF0YU8RAd4AAAAAAd4AAgAACFBydWRlbmNlAAAAAAAAAAAAAAAAAAAAAAAAAMoOTYFIKwAAAfgvmx9FQU1fRkNDX21ldGFsc19Gb2lsIzEyOTA0ODkucGRmAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABKQSJyg67JAAAAAAAAAAAAAMABAAACSAAAAAAAAAAAAAAAAAAAAADRUFNAAAQAAgAAMoOhcEAAAARAAgAAMoO82QAAAABABQB+C+bAAbgBgAG36gABqCYAACSRQACAE5QcnVkZW5jZTpVc2VyczoAam1pY2hhbGs6AERyb3Bib3g6AEdST1VQOgBFQU06AEVBTV9GQ0NfbWV0YWxzX0ZvaWwjMTI5MDQ4OS5wZGYADgBKACQARQBBAE0AXwBGAEMAQwBfAG0AZQB0AGEAbABzAF8ARgBvAGkAbABlAHMAXwBCAGEAcwBrAGUAcwBfAEQAYQB3AC4AcABkAGYADwASAAgAUAByAHUAZABlAG4AYwBlABIARVVzZXJzL2ptaWNoYWxrL0Ryb3Bib3gvR1JPVVAvRUFNL0VBTV9GQ0NfbWV0YWxzX0ZvaWxlc19CYXNrZXNfRGF3LnBkZgAAEwABLwAAFQACAA///wAAgAXSHB0eH1gkY2xhc3Nlc1okY2xhc3NuYW1lox8gIV1OU011dGFibGVEYXRhVk5TRGF0YVhOU09iamVjdF8QPy4uLy4uLy4uL0Ryb3Bib3gvR1JPVVAvRUFNL0VBTV9GQ0NfbWV0YWxzX0ZvaWxlc19CYXNrZXNfRGF3LnBkZtIcHSQloiUhXE5TRGljdGlvbmFyeRIAAYagXxAPTlNLZXllZEFyY2hpdmVyAAgAEQAWAB8AKAAyADUAOgA8AEUASwBSAF0AZABsAG8AcQBzAHUAeAB6AHwAhgCTAJgAoAKCAoQCiQKSAp0CoQKvArYCvwMBAwYDCQMWAxsAAAAAAAACAQAAAAAAAAAoAAAAAAAAAAAAAAAAAAADLQ==}}
1293 >        Bdsk-File-1 = {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}}
1294  
1295   @article{doi:10.1021/jp0665729,
1296          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},
# Line 1004 | Line 1335 | and suggest a reaction mechanism which is not observed
1335          Year = {1997},
1336          Bdsk-File-1 = {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}}
1337  
1338 < @article{doi:10.1021/jp002302t,
1338 > @article{Feibelman:2001,
1339          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.},
1340          Author = {P. J. Feibelman and et al.},
1341          Date-Added = {2012-08-30 20:46:42 +0000},
1342 <        Date-Modified = {2012-10-04 22:21:14 +0000},
1342 >        Date-Modified = {2012-12-13 20:08:45 +0000},
1343          Journal = {J. Phys. Chem. B},
1344          Keywords = {CO and Platinum},
1345          Pages = {4018-4025},
# Line 1017 | Line 1348 | and suggest a reaction mechanism which is not observed
1348          Year = {2001},
1349          Bdsk-File-1 = {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}}
1350  
1351 < @article{Kelemen,
1351 > @article{Kelemen:1979,
1352          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.},
1353          Author = {S.R. Kelemen and T.E. Fischer and J.A. Schwarz},
1354          Date-Added = {2012-08-30 19:49:26 +0000},
1355 <        Date-Modified = {2012-08-30 21:52:56 +0000},
1355 >        Date-Modified = {2012-12-13 20:03:25 +0000},
1356          Journal = {Surface Science},
1357          Keywords = {Platinum and CO},
1358          Pages = {440-450},

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