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%% This BibTeX bibliography file was created using BibDesk. |
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%% Created for Dan Gezelter at 2015-01-27 15:18:33 -0500 |
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@article{johnson89, |
| 13 |
Author = {Johnson, R. A.}, |
| 14 |
Date-Added = {2015-01-27 20:16:55 +0000}, |
| 15 |
Date-Modified = {2015-01-27 20:17:00 +0000}, |
| 16 |
Doi = {10.1103/PhysRevB.39.12554}, |
| 17 |
Issue = {17}, |
| 18 |
Journal = {Phys. Rev. B}, |
| 19 |
Month = {Jun}, |
| 20 |
Numpages = {0}, |
| 21 |
Pages = {12554--12559}, |
| 22 |
Publisher = {American Physical Society}, |
| 23 |
Title = {Alloy models with the embedded-atom method}, |
| 24 |
Url = {http://link.aps.org/doi/10.1103/PhysRevB.39.12554}, |
| 25 |
Volume = {39}, |
| 26 |
Year = {1989}, |
| 27 |
Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevB.39.12554}, |
| 28 |
Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.39.12554}} |
| 29 |
|
| 30 |
@article{Tao:2010, |
| 31 |
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.}, |
| 32 |
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.}, |
| 33 |
Date-Added = {2015-01-14 17:41:59 +0000}, |
| 34 |
Date-Modified = {2015-01-14 17:41:59 +0000}, |
| 35 |
Journal = {Science}, |
| 36 |
Keywords = {Pt CO reconstruction}, |
| 37 |
Number = {5967}, |
| 38 |
Pages = {850-853}, |
| 39 |
Title = {Break-Up of Stepped Platinum Catalyst Surfaces by High CO Coverage}, |
| 40 |
Volume = {327}, |
| 41 |
Year = {2010}} |
| 42 |
|
| 43 |
@article{Baskes:1987, |
| 44 |
Author = {Baskes, M. I.}, |
| 45 |
Date-Added = {2015-01-12 22:11:14 +0000}, |
| 46 |
Date-Modified = {2015-01-12 22:14:06 +0000}, |
| 47 |
Doi = {10.1103/PhysRevLett.59.2666}, |
| 48 |
Issue = {23}, |
| 49 |
Journal = {Phys. Rev. Lett.}, |
| 50 |
Keywords = {MEAM EAM Silicon}, |
| 51 |
Month = {Dec}, |
| 52 |
Numpages = {4}, |
| 53 |
Pages = {2666--2669}, |
| 54 |
Publisher = {American Physical Society}, |
| 55 |
Title = {Application of the Embedded-Atom Method to Covalent Materials: A Semiempirical Potential for Silicon}, |
| 56 |
Url = {http://link.aps.org/doi/10.1103/PhysRevLett.59.2666}, |
| 57 |
Volume = {59}, |
| 58 |
Year = {1987}, |
| 59 |
Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.59.2666}, |
| 60 |
Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.59.2666}} |
| 61 |
|
| 62 |
@article{Beurden:2002ys, |
| 63 |
Abstract = {An atomistic interaction potential for adsorbate/surface systems is presented, based on the modified embedded-atom method (MEAM) and applied to CO on Pt. All parameters are determined using both density-functional theory (DFT) calculations, as well as the necessary experimental data. Whereas current DFT implementations suffer from problems in predicting the correct adsorption site of CO on Pt{111}, the current MEAM potential quantitatively describes the adsorption energies on the Pt {100} and {111} surfaces. With this potential, one is able to model, amongst others, diffusional properties and the CO induced lifting of the Pt{100}-hex surface reconstruction.}, |
| 64 |
Address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, |
| 65 |
Author = {van Beurden, P and Verhoeven, HGJ and Kramer, GJ and Thijsse, BJ}, |
| 66 |
Date-Added = {2015-01-12 16:53:29 +0000}, |
| 67 |
Date-Modified = {2015-01-12 16:54:01 +0000}, |
| 68 |
Doi = {DOI 10.1103/PhysRevB.66.235409}, |
| 69 |
Isi = {000180279400100}, |
| 70 |
Isi-Recid = {127920116}, |
| 71 |
Isi-Ref-Recids = {100515854 102261636 80504184 86596468 49189551 87313608 118200797 104759623 114816277 43688858 123716000 60942681 32054494 79580399 119900392 112604328 104787214 95253353 85495097 59057119 91236942 69323123 116538925 123233489 110174182 98202194 97300927 104583045 80557185 118566443 106876514 93821961 43505343 72309405 74518216 62074706 51830448 68789690 92569536 88587013 60413345 119665908 112447170 47346043 127920117 121625154 119751303 127920118 119731850 113465338 94816645 98731048 109783982}, |
| 72 |
Journal = prb, |
| 73 |
Keywords = {CO Adsorption}, |
| 74 |
Month = dec, |
| 75 |
Number = {23}, |
| 76 |
Pages = {235409}, |
| 77 |
Publisher = {AMERICAN PHYSICAL SOC}, |
| 78 |
Times-Cited = {12}, |
| 79 |
Title = {Atomistic potential for adsorbate/surface systems: CO on Pt}, |
| 80 |
Volume = {66}, |
| 81 |
Year = {2002}, |
| 82 |
Bdsk-Url-1 = {http://gateway.isiknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS&DestLinkType=FullRecord;KeyUT=000180279400100}} |
| 83 |
|
| 84 |
@article{Yeo:1997, |
| 85 |
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}, |
| 86 |
Author = {Y. Y. Yeo and L. Vattuone and D. A. King}, |
| 87 |
Date-Added = {2015-01-12 16:52:34 +0000}, |
| 88 |
Date-Modified = {2015-01-21 20:20:19 +0000}, |
| 89 |
Journal = {J. Chem. Phys.}, |
| 90 |
Keywords = {Calorimetry CO Pt 111 Adsorption}, |
| 91 |
Month = {January}, |
| 92 |
Pages = {392-402}, |
| 93 |
Title = {Calorimetric heats for CO and oxygen adsorption and for the catalytic CO oxidation reaction on Pt{111}}, |
| 94 |
Volume = {106}, |
| 95 |
Year = {1997}, |
| 96 |
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| 97 |
|
| 98 |
@article{Rosch:2012, |
| 99 |
Author = {I. V. Yudanov and A. Genest and S. Schauermann and H.-J. Freund and N. R{\"o}sch}, |
| 100 |
Date-Added = {2015-01-12 16:50:14 +0000}, |
| 101 |
Date-Modified = {2015-01-12 16:52:14 +0000}, |
| 102 |
Journal = {Nano Letters}, |
| 103 |
Keywords = {DFT CO Adsorption}, |
| 104 |
Month = {April}, |
| 105 |
Pages = {2134-2139}, |
| 106 |
Title = {Size Dependence of the Adsorption Energy of CO on Metal Nanoparticles: A DFT Search for the Minimum Value}, |
| 107 |
Volume = {12}, |
| 108 |
Year = {2012}} |
| 109 |
|
| 110 |
@article{Ertl:1977, |
| 111 |
Author = {G. Ertl and M. Neumann and K.M. Streit}, |
| 112 |
Date-Added = {2015-01-12 16:49:59 +0000}, |
| 113 |
Date-Modified = {2015-01-12 16:50:04 +0000}, |
| 114 |
Journal = {Surface Science}, |
| 115 |
Keywords = {CO Pt(111) Adsorption}, |
| 116 |
Month = {January}, |
| 117 |
Pages = {393}, |
| 118 |
Title = {Chemisorption of CO on the Pt(111) Surface}, |
| 119 |
Volume = {64}, |
| 120 |
Year = {1977}, |
| 121 |
Bdsk-File-1 = {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}} |
| 122 |
|
| 123 |
@article{Jiang:2007, |
| 124 |
Author = {W. Liu and Y. F. Zhu and J. S. Lian and Q. Jiang}, |
| 125 |
Date-Added = {2015-01-12 16:47:42 +0000}, |
| 126 |
Date-Modified = {2015-01-12 16:48:39 +0000}, |
| 127 |
Journal = {J. Phys. Chem. C}, |
| 128 |
Keywords = {CO Adsorption}, |
| 129 |
Month = {October}, |
| 130 |
Pages = {1005-1009}, |
| 131 |
Title = {Adsorption of CO on Surfaces of 4d and 5d Elements in Group VIII}, |
| 132 |
Volume = {111}, |
| 133 |
Year = {2007}} |
| 134 |
|
| 135 |
@article{Kelemen:1979, |
| 136 |
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.}, |
| 137 |
Author = {S.R. Kelemen and T.E. Fischer and J.A. Schwarz}, |
| 138 |
Date-Added = {2015-01-12 16:47:28 +0000}, |
| 139 |
Date-Modified = {2015-01-12 16:49:25 +0000}, |
| 140 |
Journal = {Surface Science}, |
| 141 |
Keywords = {CO Adsorption}, |
| 142 |
Pages = {440-450}, |
| 143 |
Rating = {5}, |
| 144 |
Read = {1}, |
| 145 |
Title = {The Binding Energy of CO on Clean and Sulfur Covered Platinum Surfaces}, |
| 146 |
Year = {1979}, |
| 147 |
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| 148 |
|
| 149 |
@article{Deshlahra:2012, |
| 150 |
Author = {P. Deshlahra and J. Conway and E. E. Wolf and W. F. Schneider}, |
| 151 |
Date-Added = {2015-01-12 16:47:20 +0000}, |
| 152 |
Date-Modified = {2015-01-12 16:49:33 +0000}, |
| 153 |
Journal = {Langumuir}, |
| 154 |
Keywords = {Dipole Interactions CO Pt Adsorption}, |
| 155 |
Month = {April}, |
| 156 |
Pages = {8408}, |
| 157 |
Title = {Influence of Dipole-Dipole Interactions on Coverage-Dependent Adsorption: CO and NO on Pt(111)}, |
| 158 |
Volume = {28}, |
| 159 |
Year = {2012}} |
| 160 |
|
| 161 |
@article{Ertl:1989, |
| 162 |
Author = {T. Gritsch and D. Coulman and R. J. Behm and G. Ertl}, |
| 163 |
Date-Added = {2015-01-12 16:32:04 +0000}, |
| 164 |
Date-Modified = {2015-01-12 16:34:08 +0000}, |
| 165 |
Journal = {Phys. Rev. Lett.}, |
| 166 |
Keywords = {CO Pt reconstruction}, |
| 167 |
Month = {September}, |
| 168 |
Number = {10}, |
| 169 |
Pages = {1086-1089}, |
| 170 |
Title = {Mechanism of the CO-Induced 1x2 -> 1x1 Structural Transformation of Pt(110)}, |
| 171 |
Volume = {63}, |
| 172 |
Year = {1989}} |
| 173 |
|
| 174 |
@misc{openmd, |
| 175 |
Author = {J. Daniel Gezelter and Joseph Michalka and Shenyu Kuang and James Marr and Kelsey Stocker and Chunlei Li and Charles F. Vardeman and Teng Lin and Christopher J. Fennell and Xiuquan Sun and Kyle Daily and Yang Zheng and Matthew A. Meineke}, |
| 176 |
Date-Added = {2014-12-05 17:08:03 +0000}, |
| 177 |
Date-Modified = {2014-12-05 17:08:03 +0000}, |
| 178 |
Howpublished = {Available at {\tt http://openmd.org}}, |
| 179 |
Title = {{OpenMD, an Open Source Engine for Molecular Dynamics}}} |
| 180 |
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| 181 |
@article{Pons:1986, |
| 182 |
Author = {C. Korzeniewski and S. Pons and P. P. Schmidt and M. W. Severson}, |
| 183 |
Date-Added = {2014-12-03 20:42:34 +0000}, |
| 184 |
Date-Modified = {2014-12-03 20:42:34 +0000}, |
| 185 |
Journal = {J. Chem. Phys.}, |
| 186 |
Keywords = {CO parameters}, |
| 187 |
Month = {June}, |
| 188 |
Pages = {4153}, |
| 189 |
Title = {A theoretical analysis of the vibrational spectrum of carbon monoxide on platinum metal electrodes}, |
| 190 |
Volume = {85}, |
| 191 |
Year = {1986}} |
| 192 |
|
| 193 |
@article{Straub, |
| 194 |
Author = {John E. Straub and Martin Karplus}, |
| 195 |
Date-Added = {2014-12-02 21:18:08 +0000}, |
| 196 |
Date-Modified = {2014-12-02 21:18:08 +0000}, |
| 197 |
Journal = {Chemical Physics}, |
| 198 |
Keywords = {CO and model}, |
| 199 |
Month = {June}, |
| 200 |
Pages = {221-248}, |
| 201 |
Title = {Molecular Dynamics Study of the Photodissociation of Carbon Monoxide from Myoglobin: Ligand Dynamics in the first 10 ps}, |
| 202 |
Volume = {158}, |
| 203 |
Year = {1991}, |
| 204 |
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| 205 |
|
| 206 |
@article{Michalka:2013, |
| 207 |
Author = {Michalka, Joseph R. and McIntyre, Patrick W. and Gezelter, J. Daniel}, |
| 208 |
Date-Added = {2014-12-02 20:11:07 +0000}, |
| 209 |
Date-Modified = {2014-12-02 20:11:07 +0000}, |
| 210 |
Doi = {10.1021/jp402798n}, |
| 211 |
Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp402798n}, |
| 212 |
Journal = {The Journal of Physical Chemistry C}, |
| 213 |
Number = {28}, |
| 214 |
Pages = {14579-14587}, |
| 215 |
Title = {Molecular Dynamics Simulations of the Surface Reconstructions of Pt(557) and Au(557) under Exposure to CO}, |
| 216 |
Url = {http://pubs.acs.org/doi/abs/10.1021/jp402798n}, |
| 217 |
Volume = {117}, |
| 218 |
Year = {2013}, |
| 219 |
Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp402798n}, |
| 220 |
Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp402798n}} |
| 221 |
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| 222 |
@article{EAM, |
| 223 |
Author = {Foiles, S. M. and Baskes, M. I. and Daw, M. S.}, |
| 224 |
Date-Added = {2014-12-02 20:10:56 +0000}, |
| 225 |
Date-Modified = {2014-12-02 20:10:56 +0000}, |
| 226 |
Journal = {Phys. Rev. B}, |
| 227 |
Keywords = {EAM}, |
| 228 |
Month = {June}, |
| 229 |
Number = {12}, |
| 230 |
Pages = {7983-7991}, |
| 231 |
Title = {Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys}, |
| 232 |
Volume = {33}, |
| 233 |
Year = {1986}, |
| 234 |
Bdsk-File-1 = {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}} |
| 235 |
|
| 236 |
@unpublished{QSC, |
| 237 |
Author = {Y. Kimura and T. Cagin and W. A. {Goddard III}}, |
| 238 |
Date-Added = {2014-12-02 20:10:32 +0000}, |
| 239 |
Date-Modified = {2014-12-02 20:10:32 +0000}, |
| 240 |
Note = {Downloaded from: $\mathtt{http://wag.caltech.edu/home-pages/tahir/psfiles/51.ps}$}, |
| 241 |
Title = {The Quantum Sutton-Chen Many Body Potential for Properties of FCC metals}, |
| 242 |
Url = {http://wag.caltech.edu/home-pages/tahir/psfiles/51.ps}, |
| 243 |
Year = {1998}, |
| 244 |
Bdsk-Url-1 = {citeseer.ist.psu.edu/150963.html}} |
| 245 |
|
| 246 |
@article{Finnis84, |
| 247 |
Author = {M.~W Finnis and J.~E. Sinclair}, |
| 248 |
Date-Added = {2014-12-02 20:10:24 +0000}, |
| 249 |
Date-Modified = {2014-12-02 20:10:24 +0000}, |
| 250 |
Journal = {Phil. Mag. A}, |
| 251 |
Pages = {45-55}, |
| 252 |
Title = {A Simple Empirical N-Body Potential for Transition-Metals}, |
| 253 |
Volume = 50, |
| 254 |
Year = 1984} |
| 255 |
|
| 256 |
@article{Deshlahra:2009, |
| 257 |
Author = {P. Deshlahra and E. E. Wolf and W. F. Schneider}, |
| 258 |
Date-Added = {2014-12-02 20:10:15 +0000}, |
| 259 |
Date-Modified = {2014-12-02 20:10:15 +0000}, |
| 260 |
Journal = {J. Phys. Chem. A}, |
| 261 |
Keywords = {DFT CO Electric Fields}, |
| 262 |
Month = {February}, |
| 263 |
Pages = {4125}, |
| 264 |
Title = {A Periodic Density Functional Theory Analysis of CO Chemisorption on Pt(111) in the Presence of Uniform Electric Fields}, |
| 265 |
Volume = {113}, |
| 266 |
Year = {2009}, |
| 267 |
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