Real-time atomistic simulation of the Ostwald ripening of TiO(2)supported Au nanoparticles
文献类型：期刊论文
| 作者 | Zhu, BE; Qi, R; Yuan, LN; Gao, Y |
| 刊名 | NANOSCALE
 |
| 出版日期 | 2020 |
| 卷号 | 12期号:37页码:19142-19148 |
| 关键词 | TRANSMISSION ELECTRON-MICROSCOPY PARTICLE-SIZE CATALYSTS NANOCLUSTERS CRYSTALS GROWTH GOLD |
| ISSN号 | 2040-3364 |
| DOI | 10.1039/d0nr04571c |
| 文献子类 | 期刊论文 |
| 英文摘要 | Ostwald ripening (OR), one of the major processes of nanoparticle sintering, is critical for the rational design of functional nanomaterials. However, the atomistic mechanism of OR has not been fully understood, because the characterization of interparticle transport of atoms in real-time is challenging by either experiments or theoretical simulations. Thus, current understandings are based onad hocassumptions about the OR mechanism, which have never been confirmed yet at the atomic scale. Herein, we realized all-atom kinetic Monte Carlo simulation of sintering of TiO(2)supported Au nanoparticles (NPs) through the OR mechanism at millisecond timescales. We demonstrated that the "semi-spherical" assumption should be removed. The OR process was a stagewise process determined by different rate-determining steps, which is in contrast to the single-stage presumption. Au dimers, rather than monomers as generally assumed, were exchanged among different NPs. Besides, we proposed a new kinetic model for describing the determining rate of OR without presumptions. This work brings deeper insights into the atomistic OR mechanism and also paves the way for real-time monitoring of catalyst sintering at the atomic scale. |
| 语种 | 英语 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/33106]  |
| 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.Harbin Univ Sci & Technol, Coll Chem & Environm Engn, Harbin 150040, Peoples R China 2.Chinese Acad Sci, Shanghai Inst Appl Phys, Key Lab Inteifacial Phys & Technol, Shanghai 201800, Peoples R China 3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 4.Chinese Acad Sci, Shanghai Adv Res Inst, Zhangjiang Lab, Shanghai 201210, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhu, BE,Qi, R,Yuan, LN,et al. Real-time atomistic simulation of the Ostwald ripening of TiO(2)supported Au nanoparticles[J]. NANOSCALE,2020,12(37):19142-19148. |
| APA | Zhu, BE,Qi, R,Yuan, LN,&Gao, Y.(2020).Real-time atomistic simulation of the Ostwald ripening of TiO(2)supported Au nanoparticles.NANOSCALE,12(37),19142-19148. |
| MLA | Zhu, BE,et al."Real-time atomistic simulation of the Ostwald ripening of TiO(2)supported Au nanoparticles".NANOSCALE 12.37(2020):19142-19148. |
入库方式： OAI收割
来源：上海应用物理研究所
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