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Altering the distribution of Pd nano particles on ferroelectric substrate: Dissipative particle dynamics simulation
Ferroelectrics Letters Section ( IF 1.3 ) Pub Date : 2018-11-02 , DOI: 10.1080/07315171.2018.1537334
Yue Liu 1, 2 , Jiaxi Tang 3 , Chengzhi Hua 1 , Jiuyang Li 1 , Kai Fu 1 , Haonan Zhu 4
Affiliation  

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.

中文翻译:

改变 Pd 纳米粒子在铁电衬底上的分布:耗散粒子动力学模拟

摘要 Pd纳米颗粒在化学工业中被广泛用作催化剂。然而,催化效率受到 Pd 聚集的限制。本文报道了不同铁电极化表面和温度下 Pd 的表面聚集动力学。同时,通过耗散粒子动力学方法和密度泛函理论讨论了减小粒径以获得Pd的分散形貌。负极化表面提供分散的 Pd 形态,温度影响将在模拟中讨论。
更新日期:2018-11-02
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