کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1606956 | 1516230 | 2016 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Structural optimization of Pt-Pd-Rh trimetallic nanoparticles using improved genetic algorithm
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
فلزات و آلیاژها
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Structural optimization of Pt-Pd-Rh trimetallic nanoparticles using improved genetic algorithm Structural optimization of Pt-Pd-Rh trimetallic nanoparticles using improved genetic algorithm](/preview/png/1606956.png)
چکیده انگلیسی
Metallic nanoparticles have received considerable attention due to their superior catalytic properties. In this study, we proposed an improved genetic algorithm to optimize atomic structures of Pt-Pd-Rh trimetallic nanoparticles with various sizes and compositions. In the improved genetic algorithm, a layered coordinate ranking method and an effective fitness function were introduced to enhance its searching capability. The optimized results show that Pt and Pd atoms prefer to segregate on the surface, while Rh atoms tend to aggregate inside. Meanwhile, Pd atoms exhibit stronger surface segregation than Pt ones. Furthermore, the distribution of atomic coordination number was investigated.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Alloys and Compounds - Volume 663, 5 April 2016, Pages 466-473
Journal: Journal of Alloys and Compounds - Volume 663, 5 April 2016, Pages 466-473
نویسندگان
Tun-Dong Liu, Liang-You Xu, Gui-Fang Shao, Na-Na Tu, Ji-Ping Tao, Yu-Hua Wen,