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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 3816 by jmichalk, Sat Dec 15 00:06:33 2012 UTC

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2   %% http://bibdesk.sourceforge.net/
3  
4  
5 < %% Created for Dan Gezelter at 2012-12-10 11:46:07 -0500
5 > %% Created for Joseph Michalka at 2012-12-14 16:34:09 -0500
6  
7  
8   %% Saved with string encoding Unicode (UTF-8)
# Line 73 | Line 73
73   @string{ss = {Surf. Sci.}}
74  
75  
76 + @article{TPD_Gold,
77 +        Author = {G. S. Elliot and D. R. Miller},
78 +        Date-Added = {2012-12-14 21:32:06 +0000},
79 +        Date-Modified = {2012-12-14 21:33:43 +0000},
80 +        Journal = {Proc. 14th Int. Symp. on Rarefied Gas Dynamics},
81 +        Pages = {349-58},
82 +        Year = {1984}}
83 +
84 + @article{Ewald,
85 +        Author = {C. J. Fennell and J. D. Gezelter},
86 +        Date-Added = {2012-12-14 04:22:33 +0000},
87 +        Date-Modified = {2012-12-14 04:23:31 +0000},
88 +        Journal = {J. Chem. Phys.},
89 +        Keywords = {Ewald and OpenMD},
90 +        Month = {June},
91 +        Pages = {234104},
92 +        Title = {Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics},
93 +        Volume = {124},
94 +        Year = {2006}}
95 +
96 + @article{OOPSE,
97 +        Author = {Meineke, Matthew A. and Vardeman, Charles F. and Lin, Teng and Fennell, Christopher J. and Gezelter, J. Daniel},
98 +        Date-Added = {2012-12-14 04:19:33 +0000},
99 +        Date-Modified = {2012-12-14 04:19:40 +0000},
100 +        Doi = {10.1002/jcc.20161},
101 +        Issn = {1096-987X},
102 +        Journal = {Journal of Computational Chemistry},
103 +        Keywords = {OOPSE, molecular dynamics},
104 +        Number = {3},
105 +        Pages = {252--271},
106 +        Publisher = {Wiley Subscription Services, Inc., A Wiley Company},
107 +        Title = {OOPSE: An object-oriented parallel simulation engine for molecular dynamics},
108 +        Url = {http://dx.doi.org/10.1002/jcc.20161},
109 +        Volume = {26},
110 +        Year = {2005},
111 +        Bdsk-Url-1 = {http://dx.doi.org/10.1002/jcc.20161}}
112 +
113 + @article{Monkhorst:1976,
114 +        Author = {Monkhorst, Hendrik J. and Pack, James D.},
115 +        Date-Added = {2012-12-14 02:25:00 +0000},
116 +        Date-Modified = {2012-12-14 02:25:11 +0000},
117 +        Doi = {10.1103/PhysRevB.13.5188},
118 +        Issue = {12},
119 +        Journal = {Phys. Rev. B},
120 +        Month = {Jun},
121 +        Pages = {5188--5192},
122 +        Publisher = {American Physical Society},
123 +        Title = {Special points for Brillouin-zone integrations},
124 +        Url = {http://link.aps.org/doi/10.1103/PhysRevB.13.5188},
125 +        Volume = {13},
126 +        Year = {1976},
127 +        Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevB.13.5188},
128 +        Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.13.5188}}
129 +
130 + @article{Perdew_GGA,
131 +        Author = {Perdew, John P. and Burke, Kieron and Ernzerhof, Matthias},
132 +        Date-Added = {2012-12-14 01:59:04 +0000},
133 +        Date-Modified = {2012-12-14 01:59:12 +0000},
134 +        Doi = {10.1103/PhysRevLett.77.3865},
135 +        Issue = {18},
136 +        Journal = {Phys. Rev. Lett.},
137 +        Month = {Oct},
138 +        Pages = {3865--3868},
139 +        Publisher = {American Physical Society},
140 +        Title = {Generalized Gradient Approximation Made Simple},
141 +        Url = {http://link.aps.org/doi/10.1103/PhysRevLett.77.3865},
142 +        Volume = {77},
143 +        Year = {1996},
144 +        Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.77.3865},
145 +        Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.77.3865}}
146 +
147 + @article{RRKJ_PP,
148 +        Author = {Rappe, Andrew M. and Rabe, Karin M. and Kaxiras, Efthimios and Joannopoulos, J. D.},
149 +        Date-Added = {2012-12-14 01:39:59 +0000},
150 +        Date-Modified = {2012-12-14 01:40:21 +0000},
151 +        Doi = {10.1103/PhysRevB.41.1227},
152 +        Issue = {2},
153 +        Journal = {Phys. Rev. B},
154 +        Month = {Jan},
155 +        Pages = {1227--1230},
156 +        Publisher = {American Physical Society},
157 +        Title = {Optimized pseudopotentials},
158 +        Url = {http://link.aps.org/doi/10.1103/PhysRevB.41.1227},
159 +        Volume = {41},
160 +        Year = {1990},
161 +        Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevB.41.1227},
162 +        Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.41.1227}}
163 +
164 + @article{QE-2009,
165 +        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},
166 +        Date-Added = {2012-12-14 01:34:50 +0000},
167 +        Date-Modified = {2012-12-14 01:34:50 +0000},
168 +        Journal = {Journal of Physics: Condensed Matter},
169 +        Number = {39},
170 +        Pages = {395502 (19pp)},
171 +        Title = {QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials},
172 +        Url = {http://www.quantum-espresso.org},
173 +        Volume = {21},
174 +        Year = {2009},
175 +        Bdsk-Url-1 = {http://www.quantum-espresso.org}}
176 +
177 + @article{Deshlahra:2012,
178 +        Author = {P. Deshlahra and J. Conway and E. E. Wolf and W. F. Schneider},
179 +        Date-Added = {2012-12-13 20:31:25 +0000},
180 +        Date-Modified = {2012-12-13 20:32:44 +0000},
181 +        Journal = {Langumuir},
182 +        Keywords = {Dipole Interactions CO Pt},
183 +        Month = {April},
184 +        Pages = {8408},
185 +        Title = {Influence of Dipole-Dipole Interactions on Coverage-Dependent Adsorption: CO and NO on Pt(111)},
186 +        Volume = {28},
187 +        Year = {2012}}
188 +
189 + @article{Mason:2004,
190 +        Author = {S. E. Mason and I. Grinberg and A. M. Rappe},
191 +        Date-Added = {2012-12-13 20:23:19 +0000},
192 +        Date-Modified = {2012-12-13 20:24:28 +0000},
193 +        Journal = {Phys. Rev. B},
194 +        Keywords = {CO},
195 +        Month = {April},
196 +        Pages = {161401},
197 +        Title = {First-principles extrapolation method for accurate CO adsorption energies on metal surfaces},
198 +        Volume = {69},
199 +        Year = {2004}}
200 +
201 + @article{Deshlahra:2009,
202 +        Author = {P. Deshlahra and E. E. Wolf and W. F. Schneider},
203 +        Date-Added = {2012-12-13 20:06:26 +0000},
204 +        Date-Modified = {2012-12-13 20:07:35 +0000},
205 +        Journal = {J. Phys. Chem. A},
206 +        Keywords = {DFT CO Electric Fields},
207 +        Month = {February},
208 +        Pages = {4125},
209 +        Title = {A Periodic Density Functional Theory Analysis of CO Chemisorption on Pt(111) in the Presence of Uniform Electric Fields},
210 +        Volume = {113},
211 +        Year = {2009},
212 +        Bdsk-File-1 = {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}}
213 +
214 + @article{Ertl:1977,
215 +        Author = {G. Ertl and M. Neumann and K.M. Streit},
216 +        Date-Added = {2012-12-13 20:00:24 +0000},
217 +        Date-Modified = {2012-12-13 20:01:14 +0000},
218 +        Journal = {Surface Science},
219 +        Keywords = {CO Pt(111)},
220 +        Month = {January},
221 +        Pages = {393},
222 +        Title = {Chemisorption of CO on the Pt(111) Surface},
223 +        Volume = {64},
224 +        Year = {1977},
225 +        Bdsk-File-1 = {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}}
226 +
227 + @article{Hopster:1978,
228 +        Author = {H. Hopster and H. Ibach},
229 +        Date-Added = {2012-12-13 19:51:30 +0000},
230 +        Date-Modified = {2012-12-13 19:53:17 +0000},
231 +        Journal = {Surface Science},
232 +        Keywords = {EELS CO Pt},
233 +        Month = {April},
234 +        Pages = {109},
235 +        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},
236 +        Volume = {77},
237 +        Year = {1978},
238 +        Bdsk-File-1 = {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}}
239 +
240 + @article{Pons:1986,
241 +        Author = {C. Korzeniewski and S. Pons and P. P. Schmidt and M. W. Severson},
242 +        Date-Added = {2012-12-13 18:56:39 +0000},
243 +        Date-Modified = {2012-12-13 18:58:47 +0000},
244 +        Journal = {J. Chem. Phys.},
245 +        Keywords = {CO parameters},
246 +        Month = {June},
247 +        Pages = {4153},
248 +        Title = {A theoretical analysis of the vibrational spectrum of carbon monoxide on platinum metal electrodes},
249 +        Volume = {85},
250 +        Year = {1986}}
251 +
252 + @article{QuadrupoleCOCalc,
253 +        Author = {A. Rizzo and S. Coriani and A. Halkier and C. H{\"a}ttig},
254 +        Date-Added = {2012-12-13 17:53:33 +0000},
255 +        Date-Modified = {2012-12-13 18:59:05 +0000},
256 +        Journal = {J. Chem. Phys.},
257 +        Keywords = {Quadrupole; Ab initio},
258 +        Month = {May},
259 +        Pages = {3077},
260 +        Title = {Ab initio study of the electric-field-gradient-indeuced birefringence of a polar molecule: CO},
261 +        Volume = {113},
262 +        Year = {2000}}
263 +
264 + @article{QuadrupoleCO,
265 +        Author = {N. Chetty and V.~W. Couling},
266 +        Date-Added = {2012-12-12 21:36:59 +0000},
267 +        Date-Modified = {2012-12-12 21:38:48 +0000},
268 +        Journal = {J. Chem. Phys.},
269 +        Keywords = {CO; Quadrupole},
270 +        Month = {April},
271 +        Pages = {164307},
272 +        Title = {Measurement of the electric quadrupole moment of CO},
273 +        Volume = {134},
274 +        Year = {2011}}
275 +
276   @article{Tao:2010,
277          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.},
278          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 1094 | and suggest a reaction mechanism which is not observed
1094          Z8 = {58},
1095          Z9 = {3909},
1096          Zb = {17},
1097 <        Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevB.49.14251}}
1097 >        Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevB.49.14251},
1098 >        Bdsk-File-1 = {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}}
1099  
1100   @article{doi:10.1126/science.1182122,
1101          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.},
# Line 959 | Line 1160 | and suggest a reaction mechanism which is not observed
1160          Title = {Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys},
1161          Volume = {33},
1162          Year = {1986},
1163 <        Bdsk-File-1 = {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}}
1163 >        Bdsk-File-1 = {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}}
1164  
1165   @article{doi:10.1021/jp0665729,
1166          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 1205 | and suggest a reaction mechanism which is not observed
1205          Year = {1997},
1206          Bdsk-File-1 = {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}}
1207  
1208 < @article{doi:10.1021/jp002302t,
1208 > @article{Feibelman:2001,
1209          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.},
1210          Author = {P. J. Feibelman and et al.},
1211          Date-Added = {2012-08-30 20:46:42 +0000},
1212 <        Date-Modified = {2012-10-04 22:21:14 +0000},
1212 >        Date-Modified = {2012-12-13 20:08:45 +0000},
1213          Journal = {J. Phys. Chem. B},
1214          Keywords = {CO and Platinum},
1215          Pages = {4018-4025},
# Line 1017 | Line 1218 | and suggest a reaction mechanism which is not observed
1218          Year = {2001},
1219          Bdsk-File-1 = {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}}
1220  
1221 < @article{Kelemen,
1221 > @article{Kelemen:1979,
1222          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.},
1223          Author = {S.R. Kelemen and T.E. Fischer and J.A. Schwarz},
1224          Date-Added = {2012-08-30 19:49:26 +0000},
1225 <        Date-Modified = {2012-08-30 21:52:56 +0000},
1225 >        Date-Modified = {2012-12-13 20:03:25 +0000},
1226          Journal = {Surface Science},
1227          Keywords = {Platinum and CO},
1228          Pages = {440-450},

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