Universal description of heating-induced reshaping preference of core-shell bimetallic nanoparticles

doi:10.1039/c8nr08889f

CORC > 上海应用物理研究所 > 中国科学院上海应用物理研究所 > 中科院上海应用物理研究所2011-2017年

	Universal description of heating-induced reshaping preference of core-shell bimetallic nanoparticles
	Zhao, Z ; Xu, HX ; Gao, Y ; Cheng, DJ
刊名	NANOSCALE
	2019
卷号	11 期号:3 页码:1386—1395
关键词	THERMAL STABILITIES MOLECULAR-DYNAMICS PHASE-TRANSITION AGCO NANOALLOYS SHAPE EVOLUTION SIZE CLUSTERS SURFACE SEGREGATION TEMPERATURE
ISSN号	2040-3364
DOI	10.1039/c8nr08889f
文献子类	期刊论文
英文摘要	To achieve universal description of the reshaping process of core-shell bimetallic nanoparticles, we combined the tight-binding Ising Hamiltonian model with molecular dynamic simulations to propose a general theoretical model at the atomic scale while considering the temperature, bond energy, atomic size, and surface energy effects. Based on this model, we can quantitatively analyze the tendency of core-shell structured bimetallic nanoparticles toward the reshaping phenomenon upon heating. By rapidly screening 196 types of bimetallic nanoparticles (containing transition metal elements from VIII to IIB groups in the fourth, fifth, and sixth rows of the periodic table), we identified forty-four kinds of bimetallic nanoparticles with reshaping tendency upon heating, which was validated by molecular dynamic simulations and available experimental results. With increasing temperature, the bimetallic nanoparticles with reshaping preference were transformed from an icosahedron to a star-like shape. In contrast, the structure of bimetallic nanoparticles without reshaping preference was transformed from an icosahedron to a sphere shape, which is usually considered to be the normal pre-melting phenomenon. Further structural analysis indicated that the reshaping of bimetallic nanoparticles could be ascribed to different diffusion mechanisms, where a dominant unidirectional mechanism leads to reshaped bimetallic nanoparticles and a bidirectional diffusion mechanism results in no-reshaped bimetallic nanoparticles. This study provides a deep insight into the origin of reshaping in bimetallic nanoparticles, and it may stimulate extensive studies on engineering bimetallic nanoparticles to switch on/off reshaping upon heating, for example, by modifying the structures, atomic arrangement or composites of bimetallic systems in future.
语种	英语
内容类型	期刊论文
源URL	[http://ir.sinap.ac.cn/handle/331007/31894]
专题	上海应用物理研究所_中科院上海应用物理研究所2011-2017年
作者单位	1.Beijing Univ Chem Technol, Beijing Key Lab Energy Environm Catalysis, State Key Lab Organ Inorgan Composites, Beijing 100029, Peoples R China; 2.Chinese Acad Sci, Shanghai Inst Appl Phys, Div Interfacial Water, Shanghai 201800, Peoples R China; 3.Chinese Acad Sci, Shanghai Inst Appl Phys, Key Lab Interfacial Phys & Technol, Shanghai 201800, Peoples R China; 4.Chinese Acad Sci, Shanghai Adv Res Inst, Shanghai 201210, Peoples R China
推荐引用方式 GB/T 7714	Zhao, Z,Xu, HX,Gao, Y,et al. Universal description of heating-induced reshaping preference of core-shell bimetallic nanoparticles[J]. NANOSCALE,2019,11(3):1386—1395.
APA	Zhao, Z,Xu, HX,Gao, Y,&Cheng, DJ.(2019).Universal description of heating-induced reshaping preference of core-shell bimetallic nanoparticles.NANOSCALE,11(3),1386—1395.
MLA	Zhao, Z,et al."Universal description of heating-induced reshaping preference of core-shell bimetallic nanoparticles".NANOSCALE 11.3(2019):1386—1395.