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root/group/trunk/PtPd/COonPtAu/firstPaper/COonPt/firstTry.bbl
Revision: 4227
Committed: Wed Oct 22 18:49:24 2014 UTC (10 years, 10 months ago) by jmichalk
File size: 30489 byte(s)
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Joseph: Starting my paper on Pd and Pt 557 surfaces

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# User Rev Content
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22     \bibitem[Jeong and Williams({1999})Jeong, and Williams]{ISI:000083038000001}
23     Jeong,~H.; Williams,~E. {Steps on surfaces: experiment and theory}.
24     \emph{{SURFACE SCIENCE REPORTS}} \textbf{{1999}}, \emph{{34}},
25     {171--294}\relax
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30     \bibitem[Larsen and Chorkendorff({1999})Larsen, and
31     Chorkendorff]{ISI:000083924800001}
32     Larsen,~J.; Chorkendorff,~I. {From fundamental studies of reactivity on single
33     crystals to the design of catalysts}. \emph{{SURFACE SCIENCE REPORTS}}
34     \textbf{{1999}}, \emph{{35}}, {165--222}\relax
35     \mciteBstWouldAddEndPuncttrue
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39     \bibitem[Tao et~al.(2008)Tao, Grass, Zhang, Butcher, Renzas, Liu, Chung, Mun,
40     Salmeron, and Somorjai]{Tao2008}
41     Tao,~F.; Grass,~M.~E.; Zhang,~Y.; Butcher,~D.~R.; Renzas,~J.~R.; Liu,~Z.;
42     Chung,~J.~Y.; Mun,~B.~S.; Salmeron,~M.; Somorjai,~G.~A. Reaction-Driven
43     Restructuring of Rh-Pd and Pt-Pd Core-Shell Nanoparticles. \emph{Science}
44     \textbf{2008}, \emph{322}, 932\relax
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49     \bibitem[Tao et~al.(2010)Tao, Dag, Wang, Liu, Butcher, Bluhm, Salmeron, and
50     Somorjai]{Tao:2010}
51     Tao,~F.; Dag,~S.; Wang,~L.-W.; Liu,~Z.; Butcher,~D.~R.; Bluhm,~H.;
52     Salmeron,~M.; Somorjai,~G.~A. Break-Up of Stepped Platinum Catalyst Surfaces
53     by High CO Coverage. \emph{Science} \textbf{2010}, \emph{327}, 850--853\relax
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58     \bibitem[Tao and Salmeron(2011)Tao, and Salmeron]{Tao2011}
59     Tao,~F.; Salmeron,~M. In Situ Studies of Chemistry and Structure of Materials
60     in Reactive Environments. \emph{Science} \textbf{2011}, \emph{331}, 171\relax
61     \mciteBstWouldAddEndPuncttrue
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64     \EndOfBibitem
65     \bibitem[Ertl(2008)]{Ertl08}
66     Ertl,~G. Reactions at surfaces: From atoms to complexity (Nobel lecture).
67     \emph{Angewandte Chemie-International Edition} \textbf{2008}, \emph{47},
68     3524--3535\relax
69     \mciteBstWouldAddEndPuncttrue
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72     \EndOfBibitem
73     \bibitem[Hendriksen and Frenken(2002)Hendriksen, and Frenken]{Hendriksen:2002}
74     Hendriksen,~B.; Frenken,~J. CO Oxidation on Pt(110): Scanning Tunneling
75     Microscopy Inside a High-Pressure Flow Reactor. \emph{Phys. Rev. Lett.}
76     \textbf{2002}, \emph{89}, 0461011\relax
77     \mciteBstWouldAddEndPuncttrue
78     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
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80     \EndOfBibitem
81     \bibitem[Peters et~al.(2000)Peters, Steadman, Isern, Alvarez, and
82     Ferrer]{Peters:2000}
83     Peters,~K.; Steadman,~P.; Isern,~H.; Alvarez,~J.; Ferrer,~S. Elevated-pressure
84     chemical reactivity of carbon monoxide over Au(111). \emph{Surface Science}
85     \textbf{2000}, \emph{467}, 10--22\relax
86     \mciteBstWouldAddEndPuncttrue
87     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
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90     \bibitem[Piccolo et~al.(2004)Piccolo, Loffreda, Aires, Deranlot, Jugnet,
91     Sautet, and Bertolini]{Piccolo:2004}
92     Piccolo,~L.; Loffreda,~D.; Aires,~F. J. C.~S.; Deranlot,~C.; Jugnet,~Y.;
93     Sautet,~P.; Bertolini,~J.~C. The adsorption of CO on Au(111) at elevated
94     pressures studied by STM, RAIRS, and DFT calculations. \emph{Surface Science}
95     \textbf{2004}, \emph{566-568}, 995--1000\relax
96     \mciteBstWouldAddEndPuncttrue
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99     \EndOfBibitem
100     \bibitem[Kresse and Hafner(1993)Kresse, and Hafner]{KRESSE:1993ve}
101     Kresse,~G.; Hafner,~J. Ab initio Molecular-Dynamics For Liquid-Metals.
102     \emph{Phys. Rev. B} \textbf{1993}, \emph{47}, 558--561\relax
103     \mciteBstWouldAddEndPuncttrue
104     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
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106     \EndOfBibitem
107     \bibitem[Kresse and Hafner(1993)Kresse, and Hafner]{KRESSE:1993qf}
108     Kresse,~G.; Hafner,~J. Ab initio Molecular-Dynamics For Open-Shell
109     Transition-Metals. \emph{Phys. Rev. B} \textbf{1993}, \emph{48},
110     13115--13118\relax
111     \mciteBstWouldAddEndPuncttrue
112     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
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114     \EndOfBibitem
115     \bibitem[Kresse and Hafner(1994)Kresse, and Hafner]{KRESSE:1994ul}
116     Kresse,~G.; Hafner,~J. Ab-Initio Molecular-Dynamics Simulation Of The
117     Liquid-Metal Amorphous-Semiconductor Transition In Germanium. \emph{Phys.
118     Rev. B} \textbf{1994}, \emph{49}, 14251--14269\relax
119     \mciteBstWouldAddEndPuncttrue
120     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
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122     \EndOfBibitem
123     \bibitem[Car and Parrinello(1985)Car, and Parrinello]{CAR:1985bh}
124     Car,~R.; Parrinello,~M. Unified Approach For Molecular-Dynamics And
125     Density-Functional Theory. \emph{Phys. Rev. Lett.} \textbf{1985}, \emph{55},
126     2471--2474\relax
127     \mciteBstWouldAddEndPuncttrue
128     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
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130     \EndOfBibitem
131     \bibitem[Izvekov et~al.(2000)Izvekov, Philpott, and Eglitis]{Izvekov:2000fv}
132     Izvekov,~S.; Philpott,~M.~R.; Eglitis,~R.~I. Ab initio simulation of metal
133     cluster surrounded by electrolyte. \emph{J. Electrochem. Soc.} \textbf{2000},
134     \emph{147}, 2273--2278\relax
135     \mciteBstWouldAddEndPuncttrue
136     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
137     {\mcitedefaultendpunct}{\mcitedefaultseppunct}\relax
138     \EndOfBibitem
139     \bibitem[Guidelli and Schmickler(2000)Guidelli, and
140     Schmickler]{Guidelli:2000fy}
141     Guidelli,~R.; Schmickler,~W. Recent developments in models for the inter-face
142     between a metal and an aqueous solution. \emph{Electrochim. Acta}
143     \textbf{2000}, \emph{45}, 2317--2338\relax
144     \mciteBstWouldAddEndPuncttrue
145     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
146     {\mcitedefaultendpunct}{\mcitedefaultseppunct}\relax
147     \EndOfBibitem
148     \bibitem[Foiles et~al.(1986)Foiles, Baskes, and Daw]{Foiles86}
149     Foiles,~S.~M.; Baskes,~M.~I.; Daw,~M.~S. Embedded-Atom-Method Functions for the
150     Fcc Metals $\mbox{Cu, Ag, Au, Ni, Pd, Pt}$, And Their Alloys. \emph{Phys.
151     Rev. B} \textbf{1986}, \emph{33}, 7983\relax
152     \mciteBstWouldAddEndPuncttrue
153     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
154     {\mcitedefaultendpunct}{\mcitedefaultseppunct}\relax
155     \EndOfBibitem
156     \bibitem[Straub and Karplus(1991)Straub, and Karplus]{Straub}
157     Straub,~J.~E.; Karplus,~M. Molecular Dynamics Study of the Photodissociation of
158     Carbon Monoxide from Myoglobin: Ligand Dynamics in the first 10 ps.
159     \emph{Chemical Physics} \textbf{1991}, \emph{158}, 221--248\relax
160     \mciteBstWouldAddEndPuncttrue
161     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
162     {\mcitedefaultendpunct}{\mcitedefaultseppunct}\relax
163     \EndOfBibitem
164     \bibitem[Daw and Baskes(1984)Daw, and Baskes]{Daw84}
165     Daw,~M.~S.; Baskes,~M.~I. Embedded-Atom Method: Derivation and Application to
166     Impurities, Surfaces, And Other Defects in Metals. \emph{Phys. Rev. B}
167     \textbf{1984}, \emph{29}, 6443--6453\relax
168     \mciteBstWouldAddEndPuncttrue
169     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
170     {\mcitedefaultendpunct}{\mcitedefaultseppunct}\relax
171     \EndOfBibitem
172     \bibitem[Johnson(1989)]{Johnson89}
173     Johnson,~R.~A. Alloy Models With the Embedded-Atom Method. \emph{Phys. Rev. B}
174     \textbf{1989}, \emph{39}, 12554\relax
175     \mciteBstWouldAddEndPuncttrue
176     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
177     {\mcitedefaultendpunct}{\mcitedefaultseppunct}\relax
178     \EndOfBibitem
179     \bibitem[Daw(1989)]{Daw89}
180     Daw,~M.~S. Model of Metallic Cohesion: The Embedded-Atom Method. \emph{Phys.
181     Rev. B} \textbf{1989}, \emph{39}, 7441--7452\relax
182     \mciteBstWouldAddEndPuncttrue
183     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
184     {\mcitedefaultendpunct}{\mcitedefaultseppunct}\relax
185     \EndOfBibitem
186     \bibitem[Plimpton and Hendrickson(1993)Plimpton, and Hendrickson]{Plimpton93}
187     Plimpton,~S.~J.; Hendrickson,~B.~A. Parallel Molecular Dynamics With the
188     Embedded Atom Method. \emph{Mrs Proceedings} \textbf{1993}, \emph{291},
189     37\relax
190     \mciteBstWouldAddEndPuncttrue
191     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
192     {\mcitedefaultendpunct}{\mcitedefaultseppunct}\relax
193     \EndOfBibitem
194     \bibitem[Voter(1995)]{Voter95a}
195     Voter,~A.~F. The Embedded-Atom Method. \emph{Intermetallic Compounds:
196     Principles and Practice} \textbf{1995}, \emph{1}, 77\relax
197     \mciteBstWouldAddEndPuncttrue
198     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
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200     \EndOfBibitem
201     \bibitem[Lu and Szpunar(1997)Lu, and Szpunar]{Lu97}
202     Lu,~J.; Szpunar,~J.~A. Applications of the Embedded-Atom Method to Glass
203     Formation and Crystallization of Liquid and Glass Transition-Metal Nickel.
204     \emph{Phil. Mag. A} \textbf{1997}, \emph{75}, 1057--1066\relax
205     \mciteBstWouldAddEndPuncttrue
206     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
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209     \bibitem[Alemany et~al.(1998)Alemany, Rey, and Gallego]{Alemany98}
210     Alemany,~M.~M.~G.; Rey,~C.; Gallego,~L.~J. Transport Coefficients of Liquid
211     Transition Metals: A Computer Simulation Study Using the Embedded Atom Model.
212     \emph{J. Chem. Phys.} \textbf{1998}, \emph{109}, 5175--5176\relax
213     \mciteBstWouldAddEndPuncttrue
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216     \EndOfBibitem
217     \bibitem[Finnis and Sinclair(1984)Finnis, and Sinclair]{Finnis84}
218     Finnis,~M.~W.; Sinclair,~J.~E. A Simple Empirical N-Body Potential for
219     Transition-Metals. \emph{Phil. Mag. A} \textbf{1984}, \emph{50}, 45--55\relax
220     \mciteBstWouldAddEndPuncttrue
221     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
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223     \EndOfBibitem
224     \bibitem[Sutton and Chen(1990)Sutton, and Chen]{Chen90}
225     Sutton,~A.~P.; Chen,~J. Long-Range Finnis Sinclair Potentials. \emph{Phil. Mag.
226     Lett.} \textbf{1990}, \emph{61}, 139--146\relax
227     \mciteBstWouldAddEndPuncttrue
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231     \bibitem[Kimura et~al.(1998)Kimura, Cagin, and {Goddard III}]{QSC}
232     Kimura,~Y.; Cagin,~T.; {Goddard III},~W.~A. Downloaded from:
233     $\mathtt{http://wag.caltech.edu/home-pages/tahir/psfiles/51.ps}$\relax
234     \mciteBstWouldAddEndPuncttrue
235     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
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237     \EndOfBibitem
238     \bibitem[Qi et~al.(1999)Qi, Cagin, Kimura, and {Goddard III}]{Qi99}
239     Qi,~Y.; Cagin,~T.; Kimura,~Y.; {Goddard III},~W.~A. Molecular-Dynamics
240     Simulations of Glass Formation and Crystallization in Binary Liquid Metals:
241     $\mbox{Cu-Ag}$ and $\mbox{Cu-Ni}$. \emph{Phys. Rev. B} \textbf{1999},
242     \emph{59}, 3527--3533\relax
243     \mciteBstWouldAddEndPuncttrue
244     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
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247     \bibitem[Ercolessi et~al.(1988)Ercolessi, Parrinello, and Tosatti]{Ercolessi88}
248     Ercolessi,~F.; Parrinello,~M.; Tosatti,~E. Simulation of Gold in the Glue
249     Model. \emph{Philosophical Magazine a} \textbf{1988}, \emph{58},
250     213--226\relax
251     \mciteBstWouldAddEndPuncttrue
252     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
253     {\mcitedefaultendpunct}{\mcitedefaultseppunct}\relax
254     \EndOfBibitem
255     \bibitem[Chui and Chan(2003)Chui, and Chan]{Chui:2003fk}
256     Chui,~Y.; Chan,~K. Analyses of surface and core atoms in a platinum
257     nanoparticle. \emph{Phys. Chem. Chem. Phys.} \textbf{2003}, \emph{5},
258     2869--2874\relax
259     \mciteBstWouldAddEndPuncttrue
260     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
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263     \bibitem[Wang et~al.(2005)Wang, Van~Hove, Ross, and Baskes]{Wang:2005qy}
264     Wang,~G.; Van~Hove,~M.; Ross,~P.; Baskes,~M. Surface structures of
265     cubo-octahedral Pt-Mo catalyst nanoparticles from Monte Carlo simulations.
266     \emph{J. Phys. Chem. B} \textbf{2005}, \emph{109}, 11683--11692\relax
267     \mciteBstWouldAddEndPuncttrue
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271     \bibitem[Medasani et~al.(2007)Medasani, Park, and Vasiliev]{Medasani:2007uq}
272     Medasani,~B.; Park,~Y.~H.; Vasiliev,~I. Theoretical study of the surface
273     energy, stress, and lattice contraction of silver nanoparticles. \emph{Phys.
274     Rev. B} \textbf{2007}, \emph{75}\relax
275     \mciteBstWouldAddEndPuncttrue
276     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
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278     \EndOfBibitem
279     \bibitem[Mishin et~al.(1999)Mishin, Farkas, Mehl, and
280     Papaconstantopoulos]{mishin99:_inter}
281     Mishin,~Y.; Farkas,~D.; Mehl,~M.~J.; Papaconstantopoulos,~D.~A. Interatomic
282     potentials for monoatomic metals from experimental data and ab initio
283     calculations. \emph{Phys. Rev. B} \textbf{1999}, \emph{59}, 3393--3407\relax
284     \mciteBstWouldAddEndPuncttrue
285     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
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287     \EndOfBibitem
288     \bibitem[Belonoshko et~al.(2000)Belonoshko, Ahuja, Eriksson, and
289     Johansson]{Belonoshko00}
290     Belonoshko,~A.~B.; Ahuja,~R.; Eriksson,~O.; Johansson,~B. Quasi {\it ab initio}
291     Molecular Dynamic Study of $\mbox{Cu}$ Melting. \emph{Phys. Rev. B}
292     \textbf{2000}, \emph{61}, 3838--3844\relax
293     \mciteBstWouldAddEndPuncttrue
294     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
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296     \EndOfBibitem
297     \bibitem[Sankaranarayanan et~al.(2006)Sankaranarayanan, Bhethanabotla, and
298     Joseph]{sankaranarayanan:155441}
299     Sankaranarayanan,~S. K. R.~S.; Bhethanabotla,~V.~R.; Joseph,~B. Molecular
300     dynamics simulation study of the melting and structural evolution of
301     bimetallic Pd-Pt nanowires. \emph{Phys. Rev. B} \textbf{2006}, \emph{74},
302     155441\relax
303     \mciteBstWouldAddEndPuncttrue
304     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
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306     \EndOfBibitem
307     \bibitem[Sankaranarayanan et~al.(2005)Sankaranarayanan, Bhethanabotla, and
308     Joseph]{Sankaranarayanan:2005lr}
309     Sankaranarayanan,~S.; Bhethanabotla,~V.; Joseph,~B. Molecular dynamics
310     simulation study of the melting of Pd-Pt nanoclusters. \emph{Phys. Rev. B}
311     \textbf{2005}, \emph{71}\relax
312     \mciteBstWouldAddEndPuncttrue
313     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
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315     \EndOfBibitem
316     \bibitem[Shastry and Farkas(1996)Shastry, and Farkas]{Shastry:1996qg}
317     Shastry,~V.; Farkas,~D. Molecular statics simulation of fracture in alpha-iron.
318     \emph{Modelling and Simulation In Materials Science and Engineering}
319     \textbf{1996}, \emph{4}, 473--492\relax
320     \mciteBstWouldAddEndPuncttrue
321     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
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323     \EndOfBibitem
324     \bibitem[Shastry and Farkas(1998)Shastry, and Farkas]{Shastry:1998dx}
325     Shastry,~V.; Farkas,~D. Atomistic simulation of fracture in CoAl and FeAl.
326     \emph{Intermetallics} \textbf{1998}, \emph{6}, 95--104\relax
327     \mciteBstWouldAddEndPuncttrue
328     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
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330     \EndOfBibitem
331     \bibitem[Mishin et~al.(2001)Mishin, Mehl, Papaconstantopoulos, Voter, and
332     Kress]{mishin01:cu}
333     Mishin,~Y.; Mehl,~M.~J.; Papaconstantopoulos,~D.~A.; Voter,~A.~F.; Kress,~J.~D.
334     Structural stability and lattice defects in copper: {\em Ab initio},
335     tight-binding, and embed-ded-atom methods. \emph{Phys. Rev. B} \textbf{2001},
336     \emph{63}, 224106\relax
337     \mciteBstWouldAddEndPuncttrue
338     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
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340     \EndOfBibitem
341     \bibitem[Becquart et~al.(1993)Becquart, Kim, Rifkin, and
342     Clapp]{BECQUART:1993rg}
343     Becquart,~C.~S.; Kim,~D.; Rifkin,~J.~A.; Clapp,~P.~C. Fracture Properties Of
344     Metals And Alloys From Molecular-Dynamics Simulations. \emph{Materials
345     Science and Engineering A-Structural Materials Properties Microstructure and
346     Processing} \textbf{1993}, \emph{170}, 87--94\relax
347     \mciteBstWouldAddEndPuncttrue
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351     \bibitem[Rifkin et~al.(1992)Rifkin, Becquart, Kim, and Clapp]{Rifkin1992}
352     Rifkin,~J.~A.; Becquart,~C.~S.; Kim,~D.; Clapp,~P.~C. \emph{Computational
353     Methods in Materials Science}; MRS Symp. Proc.; 1992; Vol. 278; p 173\relax
354     \mciteBstWouldAddEndPuncttrue
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358     \bibitem[Shibata et~al.(2002)Shibata, Bunker, Zhang, Meisel, {Vardeman II}, and
359     Gezelter]{Shibata:2002hh}
360     Shibata,~T.; Bunker,~B.; Zhang,~Z.; Meisel,~D.; {Vardeman II},~C.; Gezelter,~J.
361     Size-dependent spontaneous alloying of Au-Ag nanoparticles. \emph{J. Am.
362     Chem. Soc.} \textbf{2002}, \emph{124}, 11989--11996\relax
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367     \bibitem[Mishin et~al.(2002)Mishin, Mehl, and
368     Papaconstantopoulos]{mishin02:b2nial}
369     Mishin,~Y.; Mehl,~M.~J.; Papaconstantopoulos,~D.~A. Embedded-atom potential for
370     B2-NiAl. \emph{Phys. Rev. B} \textbf{2002}, \emph{65}, 224114\relax
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375     \bibitem[Zope and Mishin(2003)Zope, and Mishin]{zope03:tial_ap}
376     Zope,~R.~R.; Mishin,~Y. Interatomic potentials for atomistic simulations of the
377     Ti-Al system. \emph{Phys. Rev. B} \textbf{2003}, \emph{68}, 024102\relax
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382     \bibitem[Mishin et~al.(2005)Mishin, Mehl, and
383     Papaconstantopoulos]{mishin05:phase_fe_ni}
384     Mishin,~Y.; Mehl,~M.; Papaconstantopoulos,~D. Phase stability in the Fe-Ni
385     system: Investigation by first-principles calculations and atomistic
386     simulations. \emph{Acta Mat.} \textbf{2005}, \emph{53}, 4029--4041\relax
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391     \bibitem[Chetty and Couling(2011)Chetty, and Couling]{QuadrupoleCO}
392     Chetty,~N.; Couling,~V.~W. Measurement of the electric quadrupole moment of CO.
393     \emph{J. Chem. Phys.} \textbf{2011}, \emph{134}, 164307\relax
394     \mciteBstWouldAddEndPuncttrue
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398     \bibitem[Rizzo et~al.(2000)Rizzo, Coriani, Halkier, and
399     H{\"a}ttig]{QuadrupoleCOCalc}
400     Rizzo,~A.; Coriani,~S.; Halkier,~A.; H{\"a}ttig,~C. Ab initio study of the
401     electric-field-gradient-indeuced birefringence of a polar molecule: CO.
402     \emph{J. Chem. Phys.} \textbf{2000}, \emph{113}, 3077\relax
403     \mciteBstWouldAddEndPuncttrue
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407     \bibitem[Yeo et~al.(1997)Yeo, Vattuone, and King]{Yeo}
408     Yeo,~Y.~Y.; Vattuone,~L.; King,~D.~A. Calorimetric heats for CO and oxygen
409     adsorption and for the catalytic CO oxidation reaction on Pt{111}. \emph{J.
410     Chem. Phys.} \textbf{1997}, \emph{106}, 392--402\relax
411     \mciteBstWouldAddEndPuncttrue
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414     \EndOfBibitem
415     \bibitem[Hopster and Ibach(1978)Hopster, and Ibach]{Hopster:1978}
416     Hopster,~H.; Ibach,~H. Adsorption of CO on Pt(111) and Pt 6(111) X (111)
417     Studied by High Resolution Electron Energy Loss Spectroscopy and Thermal
418     Desorption Spectroscopy. \emph{Surface Science} \textbf{1978}, \emph{77},
419     109\relax
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423     \EndOfBibitem
424     \bibitem[Ertl et~al.(1977)Ertl, Neumann, and Streit]{Ertl:1977}
425     Ertl,~G.; Neumann,~M.; Streit,~K. Chemisorption of CO on the Pt(111) Surface.
426     \emph{Surface Science} \textbf{1977}, \emph{64}, 393\relax
427     \mciteBstWouldAddEndPuncttrue
428     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
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430     \EndOfBibitem
431     \bibitem[Kelemen et~al.(1979)Kelemen, Fischer, and Schwarz]{Kelemen:1979}
432     Kelemen,~S.; Fischer,~T.; Schwarz,~J. The Binding Energy of CO on Clean and
433     Sulfur Covered Platinum Surfaces. \emph{Surface Science} \textbf{1979},
434     440--450\relax
435     \mciteBstWouldAddEndPuncttrue
436     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
437     {\mcitedefaultendpunct}{\mcitedefaultseppunct}\relax
438     \EndOfBibitem
439     \bibitem[van Beurden et~al.(2002)van Beurden, Verhoeven, Kramer, and
440     Thijsse]{Beurden:2002ys}
441     van Beurden,~P.; Verhoeven,~H.; Kramer,~G.; Thijsse,~B. Atomistic potential for
442     adsorbate/surface systems: CO on Pt. \emph{Phys. Rev. B} \textbf{2002},
443     \emph{66}, 235409\relax
444     \mciteBstWouldAddEndPuncttrue
445     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
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448     \bibitem[Korzeniewski et~al.(1986)Korzeniewski, Pons, Schmidt, and
449     Severson]{Pons:1986}
450     Korzeniewski,~C.; Pons,~S.; Schmidt,~P.~P.; Severson,~M.~W. A theoretical
451     analysis of the vibrational spectrum of carbon monoxide on platinum metal
452     electrodes. \emph{J. Chem. Phys.} \textbf{1986}, \emph{85}, 4153\relax
453     \mciteBstWouldAddEndPuncttrue
454     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
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457     \bibitem[Deshlahra et~al.(2009)Deshlahra, Wolf, and Schneider]{Deshlahra:2009}
458     Deshlahra,~P.; Wolf,~E.~E.; Schneider,~W.~F. A Periodic Density Functional
459     Theory Analysis of CO Chemisorption on Pt(111) in the Presence of Uniform
460     Electric Fields. \emph{J. Phys. Chem. A} \textbf{2009}, \emph{113},
461     4125\relax
462     \mciteBstWouldAddEndPuncttrue
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465     \EndOfBibitem
466     \bibitem[Feibelman and et~al.(2001)Feibelman, and et~al.]{Feibelman:2001}
467     Feibelman,~P.~J.; et~al., The CO/Pt(111) Puzzle. \emph{J. Phys. Chem. B}
468     \textbf{2001}, \emph{105}, 4018--4025\relax
469     \mciteBstWouldAddEndPuncttrue
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473     \bibitem[Mason et~al.(2004)Mason, Grinberg, and Rappe]{Mason:2004}
474     Mason,~S.~E.; Grinberg,~I.; Rappe,~A.~M. First-principles extrapolation method
475     for accurate CO adsorption energies on metal surfaces. \emph{Phys. Rev. B}
476     \textbf{2004}, \emph{69}, 161401\relax
477     \mciteBstWouldAddEndPuncttrue
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480     \EndOfBibitem
481     \bibitem[Deshlahra et~al.(2012)Deshlahra, Conway, Wolf, and
482     Schneider]{Deshlahra:2012}
483     Deshlahra,~P.; Conway,~J.; Wolf,~E.~E.; Schneider,~W.~F. Influence of
484     Dipole-Dipole Interactions on Coverage-Dependent Adsorption: CO and NO on
485     Pt(111). \emph{Langumuir} \textbf{2012}, \emph{28}, 8408\relax
486     \mciteBstWouldAddEndPuncttrue
487     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
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490     \bibitem[Giannozzi et~al.(2009)Giannozzi, Baroni, Bonini, Calandra, Car,
491     Cavazzoni, Ceresoli, Chiarotti, Cococcioni, Dabo, {Dal Corso}, de~Gironcoli,
492     Fabris, Fratesi, Gebauer, Gerstmann, Gougoussis, Kokalj, Lazzeri,
493     Martin-Samos, Marzari, Mauri, Mazzarello, Paolini, Pasquarello, Paulatto,
494     Sbraccia, Scandolo, Sclauzero, Seitsonen, Smogunov, Umari, and
495     Wentzcovitch]{QE-2009}
496     Giannozzi,~P. et~al. QUANTUM ESPRESSO: a modular and open-source software
497     project for quantum simulations of materials. \emph{Journal of Physics:
498     Condensed Matter} \textbf{2009}, \emph{21}, 395502 (19pp)\relax
499     \mciteBstWouldAddEndPuncttrue
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502     \EndOfBibitem
503     \bibitem[Bl\"ochl(1994)]{PhysRevB.50.17953}
504     Bl\"ochl,~P.~E. Projector augmented-wave method. \emph{Phys. Rev. B}
505     \textbf{1994}, \emph{50}, 17953--17979\relax
506     \mciteBstWouldAddEndPuncttrue
507     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
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509     \EndOfBibitem
510     \bibitem[Kresse and Joubert(1999)Kresse, and Joubert]{PhysRevB.59.1758}
511     Kresse,~G.; Joubert,~D. From ultrasoft pseudopotentials to the projector
512     augmented-wave method. \emph{Phys. Rev. B} \textbf{1999}, \emph{59},
513     1758--1775\relax
514     \mciteBstWouldAddEndPuncttrue
515     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
516     {\mcitedefaultendpunct}{\mcitedefaultseppunct}\relax
517     \EndOfBibitem
518     \bibitem[Perdew et~al.(1996)Perdew, Burke, and Ernzerhof]{Perdew_GGA}
519     Perdew,~J.~P.; Burke,~K.; Ernzerhof,~M. Generalized Gradient Approximation Made
520     Simple. \emph{Phys. Rev. Lett.} \textbf{1996}, \emph{77}, 3865--3868\relax
521     \mciteBstWouldAddEndPuncttrue
522     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
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524     \EndOfBibitem
525     \bibitem[Rappe et~al.(1990)Rappe, Rabe, Kaxiras, and Joannopoulos]{RRKJ_PP}
526     Rappe,~A.~M.; Rabe,~K.~M.; Kaxiras,~E.; Joannopoulos,~J.~D. Optimized
527     pseudopotentials. \emph{Phys. Rev. B} \textbf{1990}, \emph{41},
528     1227--1230\relax
529     \mciteBstWouldAddEndPuncttrue
530     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
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532     \EndOfBibitem
533     \bibitem[Monkhorst and Pack(1976)Monkhorst, and Pack]{Monkhorst:1976}
534     Monkhorst,~H.~J.; Pack,~J.~D. Special points for Brillouin-zone integrations.
535     \emph{Phys. Rev. B} \textbf{1976}, \emph{13}, 5188--5192\relax
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539     \EndOfBibitem
540     \bibitem[Ahmed et~al.(2003)Ahmed, Akhter, and Ahmad]{Au:melting}
541     Ahmed,~E.; Akhter,~J.; Ahmad,~M. Molecular dynamics study of thermal properties
542     of noble metals. \emph{Computational Materials Science} \textbf{2003},
543     \emph{31}, 309--316\relax
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545     \mciteSetBstMidEndSepPunct{\mcitedefaultmidpunct}
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547     \EndOfBibitem
548     \bibitem[Bhattacharya et~al.(2011)Bhattacharya, Srivastava, and
549     Menon]{Pt:melting}
550     Bhattacharya,~C.; Srivastava,~M.; Menon,~S. Melting curves of FCC-metals by
551     cell-theory. \emph{Physica B: Condensed Matter} \textbf{2011}, \emph{406},
552     4035--4040\relax
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556     \EndOfBibitem
557     \bibitem[Fennell and Gezelter(2006)Fennell, and Gezelter]{Ewald}
558     Fennell,~C.~J.; Gezelter,~J.~D. Is the Ewald summation still necessary?
559     Pairwise alternatives to the accepted standard for long-range electrostatics.
560     \emph{J. Chem. Phys.} \textbf{2006}, \emph{124}, 234104\relax
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565     \bibitem[Meineke et~al.(2005)Meineke, Vardeman, Lin, Fennell, and
566     Gezelter]{OOPSE}
567     Meineke,~M.~A.; Vardeman,~C.~F.; Lin,~T.; Fennell,~C.~J.; Gezelter,~J.~D.
568     OOPSE: An object-oriented parallel simulation engine for molecular dynamics.
569     \emph{Journal of Computational Chemistry} \textbf{2005}, \emph{26},
570     252--271\relax
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575     \bibitem[Gezelter et~al.()Gezelter, Michalka, Kuang, Marr, Stocker, Li,
576     Vardeman, Lin, Fennell, Sun, Daily, Zheng, and Meineke]{openmd}
577     Gezelter,~J.~D.; Michalka,~J.; Kuang,~S.; Marr,~J.; Stocker,~K.; Li,~C.;
578     Vardeman,~C.~F.; Lin,~T.; Fennell,~C.~J.; Sun,~X.; Daily,~K.; Zheng,~Y.;
579     Meineke,~M.~A. {OpenMD, an Open Source Engine for Molecular Dynamics}.
580     Available at {\tt http://openmd.org}\relax
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584     \EndOfBibitem
585     \bibitem[Williams and Bartelt(1991)Williams, and Bartelt]{Williams:1991}
586     Williams,~E.~D.; Bartelt,~N.~C. Thermodynamics of Surface Morphology.
587     \emph{Science} \textbf{1991}, \emph{251}, 393--400\relax
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591     \EndOfBibitem
592     \bibitem[Williams(1994)]{Williams:1994}
593     Williams,~E.~D. Surface steps and surface morphology: understanding macroscopic
594     phenomena from atomic observations. \emph{Surface Science} \textbf{1994},
595     \emph{299/300}, 502--524\relax
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599     \EndOfBibitem
600     \bibitem[Pearl and Sibener(2001)Pearl, and Sibener]{Pearl}
601     Pearl,~T.~P.; Sibener,~S.~J. Oxygen driven reconstruction dynamics of Ni(977)
602     measured by time-lapse scanning tunneling microscopy. \emph{J. Chem. Phys.}
603     \textbf{2001}, \emph{115}, 1916\relax
604     \mciteBstWouldAddEndPuncttrue
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607     \EndOfBibitem
608     \bibitem[Elliott and Miller(1984)Elliott, and Miller]{TPDGold}
609     Elliott,~G.~S.; Miller,~D.~R. In \emph{Rarefied gas dynamics}; Oguchi,~H., Ed.;
610     Proc. 14th Int. Symp. on Rarefied Gas Dynamics; University of Tokyo Press,
611     1984; Vol.~1; pp 349--58\relax
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616     \end{mcitethebibliography}