Molecular dynamics simulations of initial Pd and PdO nanocluster growth in a magnetron gas aggregation source

查看全文 作　　者：Pascal [1]Brault;William Chamorro-[1]Coral;Sotheara [1]Chuon;Amael [1]Caillard;Jean-Marc [1]Bauchire;Stevè [2]Baranton;Christophe [2]Coutanceau;Erik [3]Neyts

机构地区：[1]GREMI UMR 7344 CNRS,Universite d'Orleans,45067 Orleans Cedex 2,France;[2]IC2MP UMR 7285 CNRS,Universite de Poitiers,86073 Poitiers Cedex 9,France;[3]Department of Chemistry,University of Antwerp,2610 Antwerp,Belgium

出　　处：《Frontiers of Chemical Science and Engineering》索引2019年第13卷第2期,共6页

摘　　要：Molecular dynamics simulations are carried out for describing growth of Pd and PdO nanoclusters using the ReaxFF force field. The resulting nanocluster structures are successfully compared to those of nanoclusters experimentally grown in a gas aggregation source. The PdO structure is quasi-crystalline as revealed by high resolution transmission microscope analysis for experimental PdO nanoclusters. The role of the nanocluster temperature in the molecular dynamics simulated growth is highlighted. 关键词：molecular dynamics cluster growth plasma SPUTTERING NANOCATALYST

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Molecular dynamics simulations of initial Pd and PdO nanocluster growth in a magnetron gas aggregation source

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