{"title":"Altering the distribution of Pd nano particles on ferroelectric substrate: Dissipative particle dynamics simulation","authors":"Yue Liu, Jiaxi Tang, Chengzhi Hua, Jiuyang Li, K. Fu, Haonan Zhu","doi":"10.1080/07315171.2018.1537334","DOIUrl":null,"url":null,"abstract":"Abstract Pd nano particles have been widely used as catalyst in chemical industry. However, the catalytic efficiency has been limited by the Aggregation of the Pd. In this paper, the surface aggregation dynamics of Pd on different ferroelectric polarization surface and temperature were reported. Meanwhile, reducing the particle size to obtain the dispersed morphology of Pd was discussed by the dissipative particle dynamics method and density functional theory. The negatively poled surface offered dispersed Pd morphology, the temperature influence will be discussed in the simulation.","PeriodicalId":50451,"journal":{"name":"Ferroelectrics Letters Section","volume":null,"pages":null},"PeriodicalIF":1.3000,"publicationDate":"2018-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Ferroelectrics Letters Section","FirstCategoryId":"101","ListUrlMain":"https://doi.org/10.1080/07315171.2018.1537334","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"PHYSICS, CONDENSED MATTER","Score":null,"Total":0}
引用次数: 1
Abstract
Abstract Pd nano particles have been widely used as catalyst in chemical industry. However, the catalytic efficiency has been limited by the Aggregation of the Pd. In this paper, the surface aggregation dynamics of Pd on different ferroelectric polarization surface and temperature were reported. Meanwhile, reducing the particle size to obtain the dispersed morphology of Pd was discussed by the dissipative particle dynamics method and density functional theory. The negatively poled surface offered dispersed Pd morphology, the temperature influence will be discussed in the simulation.
期刊介绍：
Ferroelectrics Letters is a separately published section of the international journal Ferroelectrics. Both sections publish theoretical, experimental and applied papers on ferroelectrics and related materials, including ferroelastics, ferroelectric ferromagnetics, electrooptics, piezoelectrics, pyroelectrics, nonlinear dielectrics, polymers and liquid crystals.
Ferroelectrics Letters permits the rapid publication of important, quality, short original papers on the theory, synthesis, properties and applications of ferroelectrics and related materials.
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