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@article{Bunluesin:1998ys, |
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Author = {T. Bunluesin and R.J. Gorte and G.W. Graham}, |
| 14 |
Date-Added = {2015-02-17 16:17:41 +0000}, |
| 15 |
Date-Modified = {2015-02-17 16:17:41 +0000}, |
| 16 |
Doi = {http://dx.doi.org/10.1016/S0926-3373(97)00040-4}, |
| 17 |
Issn = {0926-3373}, |
| 18 |
Journal = {Applied Catalysis B: Environmental}, |
| 19 |
Keywords = {Rhodium}, |
| 20 |
Number = {1--2}, |
| 21 |
Pages = {107 - 114}, |
| 22 |
Title = {Studies of the water-gas-shift reaction on ceria-supported Pt, Pd, and Rh: Implications for oxygen-storage properties}, |
| 23 |
Url = {http://www.sciencedirect.com/science/article/pii/S0926337397000404}, |
| 24 |
Volume = {15}, |
| 25 |
Year = {1998}, |
| 26 |
Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S0926337397000404}, |
| 27 |
Bdsk-Url-2 = {http://dx.doi.org/10.1016/S0926-3373(97)00040-4}} |
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@article{Lu:2011vn, |
| 30 |
Author = {Lu, Yi-Chun and Gasteiger, Hubert A. and Shao-Horn, Yang}, |
| 31 |
Date-Added = {2015-02-17 16:11:14 +0000}, |
| 32 |
Date-Modified = {2015-02-17 16:11:14 +0000}, |
| 33 |
Doi = {10.1021/ja208608s}, |
| 34 |
Eprint = {http://dx.doi.org/10.1021/ja208608s}, |
| 35 |
Journal = {Journal of the American Chemical Society}, |
| 36 |
Note = {PMID: 22044022}, |
| 37 |
Number = {47}, |
| 38 |
Pages = {19048-19051}, |
| 39 |
Title = {Catalytic Activity Trends of Oxygen Reduction Reaction for Nonaqueous Li-Air Batteries}, |
| 40 |
Url = {http://dx.doi.org/10.1021/ja208608s}, |
| 41 |
Volume = {133}, |
| 42 |
Year = {2011}, |
| 43 |
Bdsk-Url-1 = {http://dx.doi.org/10.1021/ja208608s}} |
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| 45 |
@article{Bliznakov:2012kx, |
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Abstract = {In this article we describe further improvement of high-performance Pt monolayer-shell on carbon-supported Pd nanowires/nanorods-core electrocatalysts for the oxygen reduction reaction. This improvement is facilitated by electrochemical deposition of Pd nanostructured cores on functionalized carbon surfaces. We describe in some detail this first electrochemical deposition of Pd nanowires, including the effect of deposition parameters on the deposits morphology, and propose the mechanism of the Pd nanostructures growth. The one-dimensional growth of Pd is ascribed to the hydrogen-underpotential-deposition-mediated layer-by-layer deposition of Pd. The surface structure of deposited nanowires is composed predominantly of the {111}-oriented facets that facilitate the enhanced oxygen reduction and high stability of these electrocatalysts. They have significantly higher Pt mass-, and area- specific activities and performance stability under potential cycling conditions than commercial Pt/C electrocatalysts, which indicates their great potential for resolving the remaining obstacles to commercializing PEMFCs.}, |
| 47 |
Author = {Bliznakov, S. T. and Vukmirovic, M. B. and Yang, L. and Sutter, E. A. and Adzic, R. R.}, |
| 48 |
Date-Added = {2015-02-17 16:04:01 +0000}, |
| 49 |
Date-Modified = {2015-02-17 16:04:03 +0000}, |
| 50 |
Doi = {10.1149/2.006209jes}, |
| 51 |
Eprint = {http://jes.ecsdl.org/content/159/9/F501.full.pdf+html}, |
| 52 |
Journal = {Journal of The Electrochemical Society}, |
| 53 |
Number = {9}, |
| 54 |
Pages = {F501-F506}, |
| 55 |
Title = {Pt Monolayer on Electrodeposited Pd Nanostructures: Advanced Cathode Catalysts for PEM Fuel Cells}, |
| 56 |
Url = {http://jes.ecsdl.org/content/159/9/F501.abstract}, |
| 57 |
Volume = {159}, |
| 58 |
Year = {2012}, |
| 59 |
Bdsk-Url-1 = {http://jes.ecsdl.org/content/159/9/F501.abstract}, |
| 60 |
Bdsk-Url-2 = {http://dx.doi.org/10.1149/2.006209jes}} |
| 61 |
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| 62 |
@article{Reier:2012uq, |
| 63 |
Author = {Reier, Tobias and Oezaslan, Mehtap and Strasser, Peter}, |
| 64 |
Date-Added = {2015-02-17 16:00:07 +0000}, |
| 65 |
Date-Modified = {2015-02-17 16:00:07 +0000}, |
| 66 |
Doi = {10.1021/cs3003098}, |
| 67 |
Eprint = {http://dx.doi.org/10.1021/cs3003098}, |
| 68 |
Journal = {ACS Catalysis}, |
| 69 |
Number = {8}, |
| 70 |
Pages = {1765-1772}, |
| 71 |
Title = {Electrocatalytic Oxygen Evolution Reaction (OER) on Ru, Ir, and Pt Catalysts: A Comparative Study of Nanoparticles and Bulk Materials}, |
| 72 |
Url = {http://dx.doi.org/10.1021/cs3003098}, |
| 73 |
Volume = {2}, |
| 74 |
Year = {2012}, |
| 75 |
Bdsk-Url-1 = {http://dx.doi.org/10.1021/cs3003098}} |
| 76 |
|
| 77 |
@article{Lim:2009fk, |
| 78 |
Abstract = {Controlling the morphology of Pt nanostructures can provide a great opportunity to improve their catalytic properties and increase their activity on a mass basis. We synthesized Pd-Pt bimetallic nanodendrites consisting of a dense array of Pt branches on a Pd core by reducing K2PtCl4 with L-ascorbic acid in the presence of uniform Pd nanocrystal seeds in an aqueous solution. The Pt branches supported on faceted Pd nanocrystals exhibited relatively large surface areas and particularly active facets toward the oxygen reduction reaction (ORR), the rate-determining step in a proton-exchange membrane fuel cell. The Pd-Pt nanodendrites were two and a half times more active on the basis of equivalent Pt mass for the ORR than the state-of-the-art Pt/C catalyst and five times more active than the first-generation supportless Pt-black catalyst.}, |
| 79 |
Author = {Lim, Byungkwon and Jiang, Majiong and Camargo, Pedro H. C. and Cho, Eun Chul and Tao, Jing and Lu, Xianmao and Zhu, Yimei and Xia, Younan}, |
| 80 |
Date-Added = {2015-02-17 15:58:19 +0000}, |
| 81 |
Date-Modified = {2015-02-17 15:58:22 +0000}, |
| 82 |
Doi = {10.1126/science.1170377}, |
| 83 |
Eprint = {http://www.sciencemag.org/content/324/5932/1302.full.pdf}, |
| 84 |
Journal = {Science}, |
| 85 |
Number = {5932}, |
| 86 |
Pages = {1302-1305}, |
| 87 |
Title = {Pd-Pt Bimetallic Nanodendrites with High Activity for Oxygen Reduction}, |
| 88 |
Url = {http://www.sciencemag.org/content/324/5932/1302.abstract}, |
| 89 |
Volume = {324}, |
| 90 |
Year = {2009}, |
| 91 |
Bdsk-Url-1 = {http://www.sciencemag.org/content/324/5932/1302.abstract}, |
| 92 |
Bdsk-Url-2 = {http://dx.doi.org/10.1126/science.1170377}} |
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|
| 94 |
@article{Wong:1991ta, |
| 95 |
Author = {Wong, Yat Ting and Hoffmann, Roald}, |
| 96 |
Date-Added = {2015-02-10 19:55:39 +0000}, |
| 97 |
Date-Modified = {2015-02-10 19:55:39 +0000}, |
| 98 |
Doi = {10.1021/j100155a069}, |
| 99 |
Eprint = {http://dx.doi.org/10.1021/j100155a069}, |
| 100 |
Journal = {The Journal of Physical Chemistry}, |
| 101 |
Number = {2}, |
| 102 |
Pages = {859-867}, |
| 103 |
Title = {Chemisorption of carbon monoxide on three metal surfaces: nickel(111), palladium(111), and platinum(111): a comparative study}, |
| 104 |
Url = {http://dx.doi.org/10.1021/j100155a069}, |
| 105 |
Volume = {95}, |
| 106 |
Year = {1991}, |
| 107 |
Bdsk-Url-1 = {http://dx.doi.org/10.1021/j100155a069}} |
| 108 |
|
| 109 |
@article{Ohtani:1987zh, |
| 110 |
Abstract = {The surface structures of clean Pd(111) and of CO adsorbed on Pd(111) with a (√3 ×√3)R30$\,^{\circ}$periodicity at one-third monolayer coverage are investigated by dynamical LEED intensity analyses of measured I-V curves. The clean Pd(111) structure is confirmed to be close to the ideal0 bulk structure. Slight, possibly hydrogen-induced deviations are obtained for the interlayer spacings down to the fifth layer: Δd12=+0.03$\pm$0.03 {\AA}, Δd23=−0.03$\pm$0.03{\AA}, and Δd34=Δd45=+0.05$\pm$0.03{\AA}(positive values indicate expansion from the bulk spacing value). The CO molecules are favored to adsorb at fcc-type hollow sites with the C-O axis perpendicular to the 0 surface. The optimal carbon-oxygen and metal-carbon bond lengths are 1.15$\pm$0.05 and 2.05$\pm$0.04 {\AA}, respectively. This is the first LEED structure analysis of CO adsorbed at a hollow site on clean metal surfaces without coadsorbates.}, |
| 111 |
Author = {Ohtani, H. and Hove, M. A. Van and Somorjai, G. A.}, |
| 112 |
Date = {1987/9/1/}, |
| 113 |
Date-Added = {2015-02-10 19:48:41 +0000}, |
| 114 |
Date-Modified = {2015-02-10 19:48:41 +0000}, |
| 115 |
Day = {1}, |
| 116 |
Doi = {http://dx.doi.org/10.1016/S0039-6028(87)80063-8}, |
| 117 |
Isbn = {0039-6028}, |
| 118 |
Journal = {Surface Science}, |
| 119 |
Month = {9}, |
| 120 |
Number = {2--3}, |
| 121 |
Pages = {372--386}, |
| 122 |
Title = {Leed intensity analysis of the surface structures of Pd(111) and of CO adsorbed on Pd(111) in a (√3 ×√3)R30$\,^{\circ}$arrangement}, |
| 123 |
Ty = {JOUR}, |
| 124 |
Url = {http://www.sciencedirect.com/science/article/pii/S0039602887800638}, |
| 125 |
Volume = {187}, |
| 126 |
Year = {1987}, |
| 127 |
Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S0039602887800638}, |
| 128 |
Bdsk-Url-2 = {http://dx.doi.org/10.1016/S0039-6028(87)80063-8}} |
| 129 |
|
| 130 |
@article{Conrad:1978fx, |
| 131 |
Abstract = {Adsorption, mutual interactions and transient product formation between oxygen and carbon monoxide on a Pd(111) surface were studied by means of LEED, UPS and isothermal as well as temperature-programmed desorption spectrometry at temperatures between 200 and 550 K. CO adsorption at 200 K was found to cause the formation of additional periodic overlayer structures above θ= 0.5, apart from the already known surface structures at θ{$<$} 0.5. Saturation is reached with a hexagonal close-packed layer at θ= 0.66 (≜1 ×1015moleculescm2). Depending on the sequence of gas exposure and on the partial coverages of COad andOad, different stages of coadsorption (island formation, ``compression''of the 2 ×2-Oad layer into a √3 ×√3 R 30$\,^{\circ}$structure, growth of a mixed phase with 2 ×1 periodicity etc.) may be distinguished, which influence the electronic properties and the reactivity of the adsorbates. At high surface concentrations CO2 formation proceeds with an appreciable rate already at 200 K, whereas at low coverages temperatures above 400 K are needed. The results demonstrate that no appropriate description of the kinetics of catalytic CO2 formation over the whole range of surface concentrations may be achieved in terms of simple rate laws involving coverage-independent rate constants (and activation energies) and mere surface concentrations of the reactants. There is on the other hand no indication for a reaction path involving the collision of a gaseous CO molecule with an adsorbed oxygen atom (Eley-Rideal mechanism), i.e. the reaction proceeds always with chemisorbed CO via Oad + COad →CO2 (Langmuir-Hinshelwood mechanism).}, |
| 132 |
Author = {Conrad, H. and Ertl, G. and K{\"u}ppers, J.}, |
| 133 |
Date = {1978/9/2/}, |
| 134 |
Date-Added = {2015-02-10 19:47:17 +0000}, |
| 135 |
Date-Modified = {2015-02-10 19:47:17 +0000}, |
| 136 |
Day = {2}, |
| 137 |
Doi = {http://dx.doi.org/10.1016/0039-6028(78)90101-2}, |
| 138 |
Isbn = {0039-6028}, |
| 139 |
Journal = {Surface Science}, |
| 140 |
Month = {9}, |
| 141 |
Number = {2}, |
| 142 |
Pages = {323--342}, |
| 143 |
Title = {Interactions between oxygen and carbon monoxide on a Pd(111) surface}, |
| 144 |
Ty = {JOUR}, |
| 145 |
Url = {http://www.sciencedirect.com/science/article/pii/0039602878901012}, |
| 146 |
Volume = {76}, |
| 147 |
Year = {1978}, |
| 148 |
Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/0039602878901012}, |
| 149 |
Bdsk-Url-2 = {http://dx.doi.org/10.1016/0039-6028(78)90101-2}} |
| 150 |
|
| 151 |
@article{Bradshaw:1978uf, |
| 152 |
Abstract = {Combined IR reflection-absorption and LEED studies of the room temperature adsorption of carbon monoxide on the (100), (111) and (210) surfaces of palladium are reported. The CO stretch frequency on the (100) surface varies from 1895 cm−1 at low coverages to 1949 cm−1 at θ= 0.5. A further strong shift to higher frequency is observed during the compression stage for θ{$>$} 0.5. On the (111) surface the CO stretch frequency is found at 1823 cm−1 at very low coverages, rising to 1936 cm−1 at θ= 0.5. In the compression stage above θ= 0.5 a second peak is observed above 2000 cm−1. On the much more open (210) surface, where surface atoms with the next nearest neighbour distance of 2.73 {\AA}do not exist, the behaviour of the IR band resembles surprisingly that of the (100) surface. The infrared reflection studies provide detailed information on the CO/Pd system which other surface techniques have not as yet revealed, namely, evidence for surface specificity and localised site adsorption at low CO coverage. The frequency shifts observed in the spectra are discussed in terms of the three important intermolecular interaction mechanisms, namely, dipole-dipole coupling, direct intermolecular repulsion and indirect effects via the metal atoms.}, |
| 153 |
Author = {Bradshaw, A. M. and Hoffmann, F. M.}, |
| 154 |
Date = {1978/4/1/}, |
| 155 |
Date-Added = {2015-02-10 19:45:41 +0000}, |
| 156 |
Date-Modified = {2015-02-10 19:45:41 +0000}, |
| 157 |
Day = {1}, |
| 158 |
Doi = {http://dx.doi.org/10.1016/0039-6028(78)90367-9}, |
| 159 |
Isbn = {0039-6028}, |
| 160 |
Journal = {Surface Science}, |
| 161 |
Month = {4}, |
| 162 |
Number = {3}, |
| 163 |
Pages = {513--535}, |
| 164 |
Title = {The chemisorption of carbon monoxide on palladium single crystal surfaces: IR spectroscopic evidence for localised site adsorption}, |
| 165 |
Ty = {JOUR}, |
| 166 |
Url = {http://www.sciencedirect.com/science/article/pii/0039602878903679}, |
| 167 |
Volume = {72}, |
| 168 |
Year = {1978}, |
| 169 |
Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/0039602878903679}, |
| 170 |
Bdsk-Url-2 = {http://dx.doi.org/10.1016/0039-6028(78)90367-9}} |
| 171 |
|
| 172 |
@article{Hove:1998eq, |
| 173 |
Author = {van Hove, Michel A.}, |
| 174 |
Date-Added = {2015-02-10 16:46:25 +0000}, |
| 175 |
Date-Modified = {2015-02-10 19:01:18 +0000}, |
| 176 |
Doi = {10.1002/ijch.199800040}, |
| 177 |
Issn = {1869-5868}, |
| 178 |
Journal = {Israel Journal of Chemistry}, |
| 179 |
Number = {4}, |
| 180 |
Pages = {349--352}, |
| 181 |
Publisher = {WILEY-VCH Verlag}, |
| 182 |
Title = {The Adsorption Sites of \ce{CO} and \ce{NO} Molecules on Metal Surfaces}, |
| 183 |
Url = {http://dx.doi.org/10.1002/ijch.199800040}, |
| 184 |
Volume = {38}, |
| 185 |
Year = {1998}, |
| 186 |
Bdsk-Url-1 = {http://dx.doi.org/10.1002/ijch.199800040}} |
| 187 |
|
| 188 |
@article{Surnev:2000uk, |
| 189 |
Author = {S. Surnev and M. Sock and M.G. Ramsey and F.P. Netzer and M. Wiklund and M. Borg and J.N. Andersen}, |
| 190 |
Date-Added = {2015-02-10 16:23:03 +0000}, |
| 191 |
Date-Modified = {2015-02-10 18:59:53 +0000}, |
| 192 |
Doi = {http://dx.doi.org/10.1016/S0039-6028(00)00853-0}, |
| 193 |
Issn = {0039-6028}, |
| 194 |
Journal = {Surface Science}, |
| 195 |
Keywords = {Electron energy loss spectroscopy (EELS)}, |
| 196 |
Number = {1--2}, |
| 197 |
Pages = {171 - 185}, |
| 198 |
Title = {\ce{CO} adsorption on Pd(111): a high-resolution core level photoemission and electron energy loss spectroscopy study}, |
| 199 |
Url = {http://www.sciencedirect.com/science/article/pii/S0039602800008530}, |
| 200 |
Volume = {470}, |
| 201 |
Year = {2000}, |
| 202 |
Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S0039602800008530}, |
| 203 |
Bdsk-Url-2 = {http://dx.doi.org/10.1016/S0039-6028(00)00853-0}} |
| 204 |
|
| 205 |
@article{Loffreda:1999vl, |
| 206 |
Author = {D Loffreda and D Simon and P Sautet}, |
| 207 |
Date-Added = {2015-02-09 21:42:03 +0000}, |
| 208 |
Date-Modified = {2015-02-10 19:04:18 +0000}, |
| 209 |
Doi = {http://dx.doi.org/10.1016/S0039-6028(99)00186-7}, |
| 210 |
Issn = {0039-6028}, |
| 211 |
Journal = {Surface Science}, |
| 212 |
Keywords = {Single crystal surfaces}, |
| 213 |
Number = {1}, |
| 214 |
Pages = {68 - 80}, |
| 215 |
Title = {Dependence of stretching frequency on surface coverage and adsorbate--adsorbate interactions: a density-functional theory approach of \ce{CO} on \ce{Pd} (111)}, |
| 216 |
Url = {http://www.sciencedirect.com/science/article/pii/S0039602899001867}, |
| 217 |
Volume = {425}, |
| 218 |
Year = {1999}, |
| 219 |
Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S0039602899001867}, |
| 220 |
Bdsk-Url-2 = {http://dx.doi.org/10.1016/S0039-6028(99)00186-7}} |
| 221 |
|
| 222 |
@article{Honkala:2001sf, |
| 223 |
Author = {Karoliina Honkala and P{\"a}ivi Piril{\"a} and Kari Laasonen}, |
| 224 |
Date-Added = {2015-02-09 20:41:03 +0000}, |
| 225 |
Date-Modified = {2015-02-10 19:01:02 +0000}, |
| 226 |
Doi = {http://dx.doi.org/10.1016/S0039-6028(01)01135-9}, |
| 227 |
Issn = {0039-6028}, |
| 228 |
Journal = {Surface Science}, |
| 229 |
Keywords = {Adsorption kinetics}, |
| 230 |
Number = {1--3}, |
| 231 |
Pages = {72 - 82}, |
| 232 |
Title = {\ce{CO} and \ce{NO} adsorption and co-adsorption on the \ce{Pd}(111) surface}, |
| 233 |
Url = {http://www.sciencedirect.com/science/article/pii/S0039602801011359}, |
| 234 |
Volume = {489}, |
| 235 |
Year = {2001}, |
| 236 |
Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S0039602801011359}, |
| 237 |
Bdsk-Url-2 = {http://dx.doi.org/10.1016/S0039-6028(01)01135-9}} |
| 238 |
|
| 239 |
@article{Kim:2013jt, |
| 240 |
Author = {Kim, Hyun You and Henkelman, Graeme}, |
| 241 |
Date-Added = {2015-02-09 20:27:18 +0000}, |
| 242 |
Date-Modified = {2015-02-10 19:00:43 +0000}, |
| 243 |
Doi = {10.1021/cs4006259}, |
| 244 |
Eprint = {http://dx.doi.org/10.1021/cs4006259}, |
| 245 |
Journal = {ACS Catalysis}, |
| 246 |
Number = {11}, |
| 247 |
Pages = {2541-2546}, |
| 248 |
Title = {\ce{CO} Adsorption-Driven Surface Segregation of \ce{Pd} on \ce{Au}/\ce{Pd} Bimetallic Surfaces: Role of Defects and Effect on CO Oxidation}, |
| 249 |
Url = {http://dx.doi.org/10.1021/cs4006259}, |
| 250 |
Volume = {3}, |
| 251 |
Year = {2013}, |
| 252 |
Bdsk-Url-1 = {http://dx.doi.org/10.1021/cs4006259}} |
| 253 |
|
| 254 |
@article{Palmberg:1969, |
| 255 |
Author = {Tracy, J. C. and Palmberg, P. W.}, |
| 256 |
Date-Added = {2015-02-06 18:55:58 +0000}, |
| 257 |
Date-Modified = {2015-02-06 18:56:10 +0000}, |
| 258 |
Doi = {10.1063/1.1671876}, |
| 259 |
File = {:Users/jmichalk/Dropbox/0\_GROUP/PdPtCO/CO\_Pd100.pdf:pdf}, |
| 260 |
Issn = {00219606}, |
| 261 |
Journal = {The Journal of Chemical Physics}, |
| 262 |
Number = {11}, |
| 263 |
Pages = {4852}, |
| 264 |
Title = {{Structural Influences on Adsorbate Binding Energy. I. Carbon Monoxide on (100) Palladium}}, |
| 265 |
Url = {http://scitation.aip.org/content/aip/journal/jcp/51/11/10.1063/1.1671876}, |
| 266 |
Volume = {51}, |
| 267 |
Year = {1969}, |
| 268 |
Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/51/11/10.1063/1.1671876}, |
| 269 |
Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1671876}} |
| 270 |
|
| 271 |
@article{Szanyi:1992, |
| 272 |
Author = {Szanyi, Janos and Kuhn, W. Kevin and Goodman, D. Wayne}, |
| 273 |
Date-Added = {2015-02-06 18:05:59 +0000}, |
| 274 |
Date-Modified = {2015-02-10 19:00:20 +0000}, |
| 275 |
File = {:Users/jmichalk/Dropbox/0\_GROUP/PdPtCO/co\_pd\_100\_111.pdf:pdf}, |
| 276 |
Journal = {American Vacuum Society}, |
| 277 |
Number = {4}, |
| 278 |
Pages = {1969--1974}, |
| 279 |
Title = {\ce{CO} adsorption on \ce{Pd}(111) and \ce{Pd(100)}: Low and high pressure correlations}, |
| 280 |
Volume = {11}, |
| 281 |
Year = {1992}} |
| 282 |
|
| 283 |
@article{Glassey:2004, |
| 284 |
Author = {Wingfield V. Glassey}, |
| 285 |
Date-Added = {2015-02-06 18:00:09 +0000}, |
| 286 |
Date-Modified = {2015-02-06 18:00:57 +0000}, |
| 287 |
Journal = {J. Phys. Chem. B}, |
| 288 |
Pages = {5967-5979}, |
| 289 |
Title = {Energy Partitioning Studies of CO and NO Chemisorption on the Pd(111) Surface}, |
| 290 |
Volume = {108}, |
| 291 |
Year = {2004}} |
| 292 |
|
| 293 |
@article{Hoffmann:0fk, |
| 294 |
Author = {Hoffmann, Max J. and Scheffler, Matthias and Reuter, Karsten}, |
| 295 |
Date-Added = {2015-01-29 19:18:54 +0000}, |
| 296 |
Date-Modified = {2015-01-29 19:19:01 +0000}, |
| 297 |
Doi = {10.1021/cs501352t}, |
| 298 |
Eprint = {http://dx.doi.org/10.1021/cs501352t}, |
| 299 |
Journal = {ACS Catalysis}, |
| 300 |
Number = {0}, |
| 301 |
Pages = {1199-1209}, |
| 302 |
Title = {Multi-lattice Kinetic Monte Carlo Simulations from First Principles: Reduction of the Pd(100) Surface Oxide by CO}, |
| 303 |
Url = {http://dx.doi.org/10.1021/cs501352t}, |
| 304 |
Volume = {0}, |
| 305 |
Year = {0}, |
| 306 |
Bdsk-Url-1 = {http://dx.doi.org/10.1021/cs501352t}} |
| 307 |
|
| 308 |
@article{OOPSE, |
| 309 |
Author = {Meineke, Matthew A. and Vardeman, Charles F. and Lin, Teng and Fennell, Christopher J. and Gezelter, J. Daniel}, |
| 310 |
Date-Added = {2015-01-28 18:27:13 +0000}, |
| 311 |
Date-Modified = {2015-01-28 18:27:13 +0000}, |
| 312 |
Doi = {10.1002/jcc.20161}, |
| 313 |
Issn = {1096-987X}, |
| 314 |
Journal = {J. Comput. Chem.}, |
| 315 |
Keywords = {OOPSE, molecular dynamics}, |
| 316 |
Number = {3}, |
| 317 |
Pages = {252--271}, |
| 318 |
Publisher = {Wiley Subscription Services, Inc., A Wiley Company}, |
| 319 |
Title = {{OOPSE}: {A}n object-oriented parallel simulation engine for molecular dynamics}, |
| 320 |
Url = {http://dx.doi.org/10.1002/jcc.20161}, |
| 321 |
Volume = {26}, |
| 322 |
Year = {2005}, |
| 323 |
Bdsk-Url-1 = {http://dx.doi.org/10.1002/jcc.20161}} |
| 324 |
|
| 325 |
@article{Ertl:1970, |
| 326 |
Author = {G. Ertl and Koch, J.}, |
| 327 |
Date-Added = {2015-01-28 14:49:48 +0000}, |
| 328 |
Date-Modified = {2015-02-10 19:01:39 +0000}, |
| 329 |
Journal = {Z. Naturforsch a}, |
| 330 |
Pages = {1906}, |
| 331 |
Title = {Adsorption von \ce{CO} auf einer Palladium(111)-Oberfl{\"a}che}, |
| 332 |
Volume = {25}, |
| 333 |
Year = {1970}} |
| 334 |
|
| 335 |
@article{Guo:1989, |
| 336 |
Author = {Guo, Xingcai and Yates, John T.}, |
| 337 |
Date-Added = {2015-01-28 13:07:28 +0000}, |
| 338 |
Date-Modified = {2015-01-28 13:07:40 +0000}, |
| 339 |
Doi = {10.1063/1.456294}, |
| 340 |
File = {:Users/jmichalk/Dropbox/0\_GROUP/PdPtCO/co\_pd\_111.pdf:pdf}, |
| 341 |
Issn = {00219606}, |
| 342 |
Journal = {The Journal of Chemical Physics}, |
| 343 |
Number = {11}, |
| 344 |
Pages = {6761}, |
| 345 |
Title = {{Dependence of effective desorption kinetic parameters on surface coverage and adsorption temperature: CO on Pd(111)}}, |
| 346 |
Url = {http://scitation.aip.org/content/aip/journal/jcp/90/11/10.1063/1.456294}, |
| 347 |
Volume = {90}, |
| 348 |
Year = {1989}, |
| 349 |
Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/90/11/10.1063/1.456294}, |
| 350 |
Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.456294}} |
| 351 |
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| 352 |
@article{Carenco:2014, |
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Author = {Carenco, Sophie}, |
| 354 |
Date-Added = {2015-01-28 00:08:25 +0000}, |
| 355 |
Date-Modified = {2015-01-28 00:08:33 +0000}, |
| 356 |
Doi = {10.1002/chem.201403140}, |
| 357 |
Issn = {1521-3765}, |
| 358 |
Journal = {Chemistry -- A European Journal}, |
| 359 |
Keywords = {carbon monoxide, metal surfaces, nanoparticles, nanostructuring, surface chemistry}, |
| 360 |
Number = {34}, |
| 361 |
Pages = {10616--10625}, |
| 362 |
Publisher = {WILEY-VCH Verlag}, |
| 363 |
Title = {Carbon Monoxide-Induced Dynamic Metal-Surface Nanostructuring}, |
| 364 |
Url = {http://dx.doi.org/10.1002/chem.201403140}, |
| 365 |
Volume = {20}, |
| 366 |
Year = {2014}, |
| 367 |
Bdsk-Url-1 = {http://dx.doi.org/10.1002/chem.201403140}} |
| 368 |
|
| 369 |
@article{johnson89, |
| 370 |
Author = {Johnson, R. A.}, |
| 371 |
Date-Added = {2015-01-27 20:16:55 +0000}, |
| 372 |
Date-Modified = {2015-01-27 20:17:00 +0000}, |
| 373 |
Doi = {10.1103/PhysRevB.39.12554}, |
| 374 |
Issue = {17}, |
| 375 |
Journal = {Phys. Rev. B}, |
| 376 |
Month = {Jun}, |
| 377 |
Numpages = {0}, |
| 378 |
Pages = {12554--12559}, |
| 379 |
Publisher = {American Physical Society}, |
| 380 |
Title = {Alloy models with the embedded-atom method}, |
| 381 |
Url = {http://link.aps.org/doi/10.1103/PhysRevB.39.12554}, |
| 382 |
Volume = {39}, |
| 383 |
Year = {1989}, |
| 384 |
Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevB.39.12554}, |
| 385 |
Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.39.12554}} |
| 386 |
|
| 387 |
@article{Tao:2010, |
| 388 |
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.}, |
| 389 |
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.}, |
| 390 |
Date-Added = {2015-01-14 17:41:59 +0000}, |
| 391 |
Date-Modified = {2015-01-28 18:28:21 +0000}, |
| 392 |
Journal = {Science}, |
| 393 |
Keywords = {Pt CO reconstruction}, |
| 394 |
Number = {5967}, |
| 395 |
Pages = {850-853}, |
| 396 |
Title = {Break-Up of Stepped Platinum Catalyst Surfaces by High \ce{CO} Coverage}, |
| 397 |
Volume = {327}, |
| 398 |
Year = {2010}} |
| 399 |
|
| 400 |
@article{Baskes:1987, |
| 401 |
Author = {Baskes, M. I.}, |
| 402 |
Date-Added = {2015-01-12 22:11:14 +0000}, |
| 403 |
Date-Modified = {2015-01-12 22:14:06 +0000}, |
| 404 |
Doi = {10.1103/PhysRevLett.59.2666}, |
| 405 |
Issue = {23}, |
| 406 |
Journal = {Phys. Rev. Lett.}, |
| 407 |
Keywords = {MEAM EAM Silicon}, |
| 408 |
Month = {Dec}, |
| 409 |
Numpages = {4}, |
| 410 |
Pages = {2666--2669}, |
| 411 |
Publisher = {American Physical Society}, |
| 412 |
Title = {Application of the Embedded-Atom Method to Covalent Materials: A Semiempirical Potential for Silicon}, |
| 413 |
Url = {http://link.aps.org/doi/10.1103/PhysRevLett.59.2666}, |
| 414 |
Volume = {59}, |
| 415 |
Year = {1987}, |
| 416 |
Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.59.2666}, |
| 417 |
Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.59.2666}} |
| 418 |
|
| 419 |
@article{Beurden:2002ys, |
| 420 |
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.}, |
| 421 |
Address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, |
| 422 |
Author = {van Beurden, P and Verhoeven, HGJ and Kramer, GJ and Thijsse, BJ}, |
| 423 |
Date-Added = {2015-01-12 16:53:29 +0000}, |
| 424 |
Date-Modified = {2015-01-28 18:28:08 +0000}, |
| 425 |
Doi = {DOI 10.1103/PhysRevB.66.235409}, |
| 426 |
Isi = {000180279400100}, |
| 427 |
Isi-Recid = {127920116}, |
| 428 |
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}, |
| 429 |
Journal = prb, |
| 430 |
Keywords = {CO Adsorption}, |
| 431 |
Month = dec, |
| 432 |
Number = {23}, |
| 433 |
Pages = {235409}, |
| 434 |
Publisher = {AMERICAN PHYSICAL SOC}, |
| 435 |
Times-Cited = {12}, |
| 436 |
Title = {Atomistic potential for adsorbate/surface systems: \ce{CO} on \ce{Pt}}, |
| 437 |
Volume = {66}, |
| 438 |
Year = {2002}, |
| 439 |
Bdsk-Url-1 = {http://gateway.isiknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS&DestLinkType=FullRecord;KeyUT=000180279400100}} |
| 440 |
|
| 441 |
@article{Yeo:1997, |
| 442 |
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}, |
| 443 |
Author = {Y. Y. Yeo and L. Vattuone and D. A. King}, |
| 444 |
Date-Added = {2015-01-12 16:52:34 +0000}, |
| 445 |
Date-Modified = {2015-01-28 18:28:58 +0000}, |
| 446 |
Journal = {J. Chem. Phys.}, |
| 447 |
Keywords = {Calorimetry CO Pt 111 Adsorption}, |
| 448 |
Month = {January}, |
| 449 |
Pages = {392-402}, |
| 450 |
Title = {Calorimetric heats for \ce{CO} and oxygen adsorption and for the catalytic \ce{CO} oxidation reaction on \ce{Pt}$\left\{111\right\}$}, |
| 451 |
Volume = {106}, |
| 452 |
Year = {1997}, |
| 453 |
Bdsk-File-1 = {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}} |
| 454 |
|
| 455 |
@article{Rosch:2012, |
| 456 |
Author = {I. V. Yudanov and A. Genest and S. Schauermann and H.-J. Freund and N. R\"{o}sch}, |
| 457 |
Date-Added = {2015-01-12 16:50:14 +0000}, |
| 458 |
Date-Modified = {2015-01-28 18:30:30 +0000}, |
| 459 |
Journal = {Nano Letters}, |
| 460 |
Keywords = {DFT CO Adsorption}, |
| 461 |
Month = {April}, |
| 462 |
Pages = {2134-2139}, |
| 463 |
Title = {Size Dependence of the Adsorption Energy of \ce{CO} on Metal Nanoparticles: A DFT Search for the Minimum Value}, |
| 464 |
Volume = {12}, |
| 465 |
Year = {2012}} |
| 466 |
|
| 467 |
@article{Ertl:1977, |
| 468 |
Author = {G. Ertl and M. Neumann and K.M. Streit}, |
| 469 |
Date-Added = {2015-01-12 16:49:59 +0000}, |
| 470 |
Date-Modified = {2015-01-28 18:29:18 +0000}, |
| 471 |
Journal = {Surface Science}, |
| 472 |
Keywords = {CO Pt(111) Adsorption}, |
| 473 |
Month = {January}, |
| 474 |
Pages = {393}, |
| 475 |
Title = {Chemisorption of \ce{CO} on the \ce{Pt}(111) Surface}, |
| 476 |
Volume = {64}, |
| 477 |
Year = {1977}, |
| 478 |
Bdsk-File-1 = {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}} |
| 479 |
|
| 480 |
@article{Jiang:2007, |
| 481 |
Author = {W. Liu and Y. F. Zhu and J. S. Lian and Q. Jiang}, |
| 482 |
Date-Added = {2015-01-12 16:47:42 +0000}, |
| 483 |
Date-Modified = {2015-02-10 19:01:30 +0000}, |
| 484 |
Journal = {J. Phys. Chem. C}, |
| 485 |
Keywords = {CO Adsorption}, |
| 486 |
Month = {October}, |
| 487 |
Pages = {1005-1009}, |
| 488 |
Title = {Adsorption of \ce{CO} on Surfaces of 4d and 5d Elements in Group VIII}, |
| 489 |
Volume = {111}, |
| 490 |
Year = {2007}} |
| 491 |
|
| 492 |
@article{Kelemen:1979, |
| 493 |
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.}, |
| 494 |
Author = {S.R. Kelemen and T.E. Fischer and J.A. Schwarz}, |
| 495 |
Date-Added = {2015-01-12 16:47:28 +0000}, |
| 496 |
Date-Modified = {2015-01-28 18:30:41 +0000}, |
| 497 |
Journal = {Surface Science}, |
| 498 |
Keywords = {CO Adsorption}, |
| 499 |
Pages = {440-450}, |
| 500 |
Rating = {5}, |
| 501 |
Read = {1}, |
| 502 |
Title = {The Binding Energy of \ce{CO} on Clean and Sulfur Covered Platinum Surfaces}, |
| 503 |
Year = {1979}, |
| 504 |
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| 505 |
|
| 506 |
@article{Deshlahra:2012, |
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Author = {P. Deshlahra and J. Conway and E. E. Wolf and W. F. Schneider}, |
| 508 |
Date-Added = {2015-01-12 16:47:20 +0000}, |
| 509 |
Date-Modified = {2015-01-28 18:29:47 +0000}, |
| 510 |
Journal = {Langumuir}, |
| 511 |
Keywords = {Dipole Interactions CO Pt Adsorption}, |
| 512 |
Month = {April}, |
| 513 |
Pages = {8408}, |
| 514 |
Title = {Influence of Dipole-Dipole Interactions on Coverage-Dependent Adsorption: \ce{CO} and \ce{NO} on \ce{Pt}(111)}, |
| 515 |
Volume = {28}, |
| 516 |
Year = {2012}} |
| 517 |
|
| 518 |
@article{Ertl:1989, |
| 519 |
Author = {T. Gritsch and D. Coulman and R. J. Behm and G. Ertl}, |
| 520 |
Date-Added = {2015-01-12 16:32:04 +0000}, |
| 521 |
Date-Modified = {2015-01-28 18:27:46 +0000}, |
| 522 |
Journal = {Phys. Rev. Lett.}, |
| 523 |
Keywords = {CO Pt reconstruction}, |
| 524 |
Month = {September}, |
| 525 |
Number = {10}, |
| 526 |
Pages = {1086-1089}, |
| 527 |
Title = {Mechanism of the \ce{CO}-Induced $1\times2 \rightarrow 1\times1$ Structural Transformation of \ce{Pt}(110)}, |
| 528 |
Volume = {63}, |
| 529 |
Year = {1989}} |
| 530 |
|
| 531 |
@misc{openmd, |
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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}, |
| 533 |
Date-Added = {2014-12-05 17:08:03 +0000}, |
| 534 |
Date-Modified = {2014-12-05 17:08:03 +0000}, |
| 535 |
Howpublished = {Available at {\tt http://openmd.org}}, |
| 536 |
Title = {{OpenMD, an Open Source Engine for Molecular Dynamics}}} |
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| 538 |
@article{Pons:1986, |
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Author = {C. Korzeniewski and S. Pons and P. P. Schmidt and M. W. Severson}, |
| 540 |
Date-Added = {2014-12-03 20:42:34 +0000}, |
| 541 |
Date-Modified = {2014-12-03 20:42:34 +0000}, |
| 542 |
Journal = {J. Chem. Phys.}, |
| 543 |
Keywords = {CO parameters}, |
| 544 |
Month = {June}, |
| 545 |
Pages = {4153}, |
| 546 |
Title = {A theoretical analysis of the vibrational spectrum of carbon monoxide on platinum metal electrodes}, |
| 547 |
Volume = {85}, |
| 548 |
Year = {1986}} |
| 549 |
|
| 550 |
@article{Straub, |
| 551 |
Author = {John E. Straub and Martin Karplus}, |
| 552 |
Date-Added = {2014-12-02 21:18:08 +0000}, |
| 553 |
Date-Modified = {2014-12-02 21:18:08 +0000}, |
| 554 |
Journal = {Chemical Physics}, |
| 555 |
Keywords = {CO and model}, |
| 556 |
Month = {June}, |
| 557 |
Pages = {221-248}, |
| 558 |
Title = {Molecular Dynamics Study of the Photodissociation of Carbon Monoxide from Myoglobin: Ligand Dynamics in the first 10 ps}, |
| 559 |
Volume = {158}, |
| 560 |
Year = {1991}, |
| 561 |
Bdsk-File-1 = {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}} |
| 562 |
|
| 563 |
@article{Michalka:2013, |
| 564 |
Author = {Michalka, Joseph R. and McIntyre, Patrick W. and Gezelter, J. Daniel}, |
| 565 |
Date-Added = {2014-12-02 20:11:07 +0000}, |
| 566 |
Date-Modified = {2015-01-28 18:30:06 +0000}, |
| 567 |
Doi = {10.1021/jp402798n}, |
| 568 |
Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp402798n}, |
| 569 |
Journal = {The Journal of Physical Chemistry C}, |
| 570 |
Number = {28}, |
| 571 |
Pages = {14579-14587}, |
| 572 |
Title = {Molecular Dynamics Simulations of the Surface Reconstructions of \ce{Pt}(557) and \ce{Au}(557) under Exposure to \ce{CO}}, |
| 573 |
Url = {http://pubs.acs.org/doi/abs/10.1021/jp402798n}, |
| 574 |
Volume = {117}, |
| 575 |
Year = {2013}, |
| 576 |
Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp402798n}, |
| 577 |
Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp402798n}} |
| 578 |
|
| 579 |
@article{EAM, |
| 580 |
Author = {Foiles, S. M. and Baskes, M. I. and Daw, M. S.}, |
| 581 |
Date-Added = {2014-12-02 20:10:56 +0000}, |
| 582 |
Date-Modified = {2015-02-10 19:03:13 +0000}, |
| 583 |
Journal = {Phys. Rev. B}, |
| 584 |
Keywords = {EAM}, |
| 585 |
Month = {June}, |
| 586 |
Number = {12}, |
| 587 |
Pages = {7983-7991}, |
| 588 |
Title = {Embedded-atom-method functions for the fcc metals \ce{Cu}, \ce{Ag}, \ce{Au}, \ce{Ni}, \ce{Pd}, \ce{Pt}, and their alloys}, |
| 589 |
Volume = {33}, |
| 590 |
Year = {1986}, |
| 591 |
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| 592 |
|
| 593 |
@unpublished{QSC, |
| 594 |
Author = {Y. Kimura and T. Cagin and W. A. {Goddard III}}, |
| 595 |
Date-Added = {2014-12-02 20:10:32 +0000}, |
| 596 |
Date-Modified = {2014-12-02 20:10:32 +0000}, |
| 597 |
Note = {Downloaded from: $\mathtt{http://wag.caltech.edu/home-pages/tahir/psfiles/51.ps}$}, |
| 598 |
Title = {The Quantum Sutton-Chen Many Body Potential for Properties of FCC metals}, |
| 599 |
Url = {http://wag.caltech.edu/home-pages/tahir/psfiles/51.ps}, |
| 600 |
Year = {1998}, |
| 601 |
Bdsk-Url-1 = {citeseer.ist.psu.edu/150963.html}} |
| 602 |
|
| 603 |
@article{Finnis84, |
| 604 |
Author = {M.~W Finnis and J.~E. Sinclair}, |
| 605 |
Date-Added = {2014-12-02 20:10:24 +0000}, |
| 606 |
Date-Modified = {2014-12-02 20:10:24 +0000}, |
| 607 |
Journal = {Phil. Mag. A}, |
| 608 |
Pages = {45-55}, |
| 609 |
Title = {A Simple Empirical N-Body Potential for Transition-Metals}, |
| 610 |
Volume = 50, |
| 611 |
Year = 1984} |
| 612 |
|
| 613 |
@article{Deshlahra:2009, |
| 614 |
Author = {P. Deshlahra and E. E. Wolf and W. F. Schneider}, |
| 615 |
Date-Added = {2014-12-02 20:10:15 +0000}, |
| 616 |
Date-Modified = {2014-12-02 20:10:15 +0000}, |
| 617 |
Journal = {J. Phys. Chem. A}, |
| 618 |
Keywords = {DFT CO Electric Fields}, |
| 619 |
Month = {February}, |
| 620 |
Pages = {4125}, |
| 621 |
Title = {A Periodic Density Functional Theory Analysis of CO Chemisorption on Pt(111) in the Presence of Uniform Electric Fields}, |
| 622 |
Volume = {113}, |
| 623 |
Year = {2009}, |
| 624 |
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