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Role of the nanocrystallinity on the chemical ordering of CoxPt100-x...
Phys. Chem. Chem. Phys., 2015, 17,28162-28170DOI: 10.1039/C5CP01062D, PaperFarid Kameche, Anh-Tu Ngo, Caroline Salzemann, Marco Cordeiro, Eli Sutter, Christophe PetitIn situ heating TEM reveals the...
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CO oxidation catalysed by Pd-based bimetallic nanoalloys
Phys. Chem. Chem. Phys., 2015, 17,28010-28021DOI: 10.1039/C5CP00889A, PaperDennis Palagin, Jonathan P. K. DoyeDensity functional theory based global geometry optimization has been used to demonstrate...
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Structural evolution of an intermetallic Pd-Zn catalyst selective for propane...
Phys. Chem. Chem. Phys., 2015, 17,28144-28153DOI: 10.1039/C5CP00222B, PaperJames R. Gallagher, David J. Childers, Haiyan Zhao, Randall E. Winans, Randall J. Meyer, Jeffrey T. MillerFormation of PdZn...
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AuRu/AC as an effective catalyst for hydrogenation reactions
Phys. Chem. Chem. Phys., 2015, 17,28171-28176DOI: 10.1039/C5CP00632E, Paper Open Access  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Alberto Villa, Carine...
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Thermally-induced chemical-order transitions in medium-large alloy...
Phys. Chem. Chem. Phys., 2015, 17,28211-28218DOI: 10.1039/C5CP00497G, PaperMicha Polak, Leonid RubinovichA new coarse-grained layer model (CGLM) predicts symmetry-breaking transitions in Pt-Ir...
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Optical properties of nanoalloys
Phys. Chem. Chem. Phys., 2015, 17,27952-27967DOI: 10.1039/C5CP00498E, PerspectiveGiovanni Barcaro, Luca Sementa, Alessandro Fortunelli, Mauro StenerOptical absorption spectra of bare (left) and...
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Ageing of out-of-equilibrium nanoalloys by a kinetic mean-field approach
Phys. Chem. Chem. Phys., 2015, 17,28193-28199DOI: 10.1039/C5CP00600G, PaperF. Berthier, A. Tadjine, B. LegrandAgeing of nanoalloys: the nanoparticle passes through a metastable onion-like configuration...
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Structural evolution of Ag-Cu nano-alloys confined between AlN nano-layers...
Phys. Chem. Chem. Phys., 2015, 17,28228-28238DOI: 10.1039/C5CP00782H, PaperJ. Janczak-Rusch, M. Chiodi, C. Cancellieri, F. Moszner, R. Hauert, G. Pigozzi, L. P. H. JeurgensThe paper presents a first...
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Evolution of structure and local magnetic fields during crystallization of...
Phys. Chem. Chem. Phys., 2015, 17,28239-28249DOI: 10.1039/C5CP00245A, PaperMarcel Miglierini, Marius Pavlovic, Vit Prochazka, Tomas Hatala, Gerhard Schumacher, Rudolf RufferIn situ transformation of...
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Self-diffusion in nanocrystalline alloys
Phys. Chem. Chem. Phys., 2015, 17,28250-28255DOI: 10.1039/C5CP00312A, PaperZbigniew Kaszkur, Wojciech Juszczyk, Dariusz LomotOperando PXRD shows slow diffusion kinetics of controllable, reversible...
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Doped golden fullerene cages
Phys. Chem. Chem. Phys., 2015, 17,28256-28261DOI: 10.1039/C5CP01061F, Paper Open Access  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Francesca Baletto,...
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Au-Ag nanoalloy molecule-like clusters for enhanced quantum efficiency...
Phys. Chem. Chem. Phys., 2015, 17,28262-28269DOI: 10.1039/C5CP01084E, PaperTiziana Cesca, Boris Kalinic, Niccolo Michieli, Chiara Maurizio, Angela Trapananti, Carlo Scian, Giancarlo Battaglin, Paolo...
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A DFT-based genetic algorithm search for AuCu nanoalloy electrocatalysts for...
Phys. Chem. Chem. Phys., 2015, 17,28270-28276DOI: 10.1039/C5CP00298B, Paper Open Access  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Steen Lysgaard, Jon...
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Revealing chemical ordering in Pt-Co nanoparticles using electronic structure...
Phys. Chem. Chem. Phys., 2015, 17,28298-28310DOI: 10.1039/C5CP01070E, PaperGabor Kovacs, Sergey M. Kozlov, Iva Matolinova, Mykhailo Vorokhta, Vladimir Matolin, Konstantin M....
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A correlation between thermodynamic properties, thermal expansion and...
Phys. Chem. Chem. Phys., 2015, 17,28322-28330DOI: 10.1039/C5CP01390A, PaperSperanta Tanasescu, Alexandru Milea, Oana Gingu, Florentina Maxim, Cristian Hornoiu, Silviu Preda, Gabriela SimaThe relative...
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Challenges of modelling real nanoparticles: Ni@Pt electrocatalysts for the...
Phys. Chem. Chem. Phys., 2015, 17,28286-28297DOI: 10.1039/C5CP00503E, PaperG. Ramos-Sanchez, S. Praserthdam, F. Godinez-Salomon, C. Barker, M. Moerbe, H. A. Calderon, L. A. Lartundo, M. A. Leyva, O....
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Heat-induced spinodal decomposition of Ag-Cu nanoparticles
Phys. Chem. Chem. Phys., 2015, 17,28277-28285DOI: 10.1039/C5CP00198F, PaperJiri Sopousek, Ondrej Zobac, Jiri Bursik, Pavla Roupcova, Vit Vykoukal, Pavel Broz, Jiri Pinkas, Jan Vrest'alThe predicted...
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Theoretical study of the structures and chemical ordering of cobalt-palladium...
Phys. Chem. Chem. Phys., 2015, 17,28311-28321DOI: 10.1039/C5CP01029B, PaperHaydar Arslan, Ali Kemal Garip, Roy L. JohnstonGlobal optimization of 1 : 1 compositions of (Co-Pd)N/2 up to N = 150 and all...
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New insights into the mixing of gold and copper in a nanoparticle from a...
Phys. Chem. Chem. Phys., 2015, 17,28339-28346DOI: 10.1039/C5CP01491C, PaperHelene Prunier, Jaysen Nelayah, Christian Ricolleau, Guillaume Wang, Sophie Nowak, Anne-Felicie Lamic-Humblot, Damien...
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Quasi-combinatorial energy landscapes for nanoalloy structure optimisation
Phys. Chem. Chem. Phys., 2015, 17,28331-28338DOI: 10.1039/C5CP01198A, Paper Open Access  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.D. Schebarchov, D. J....
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