|
|||||
|
|
Multi-scale theoretical study of support effect on sintering dynamics of Pt |
|
| Authors: | Ai Suzuki Katsuyoshi Nakamura Kotaro Okushi Nozomu Hatakeyama Hiromitsu Takaba Mark C Williams |
| Institution: | a New Industry Creation Hatchery Center (NICHe), Tohoku University, Aramaki, Aoba 6-6-11-1302, Sendai City, Miyagi 980-8579, Japan b Department of Applied Chemistry, Graduate School of Engineering, Tohoku University, Aramaki, Aoba 6-6-11-1302, Sendai City, Miyagi 980-8579, Japan c Laboratory for Multi-Physics Computational Science, Fracture and Reliability Research Institute, Graduate School of Engineering, Tohoku University, Aramaki, Aoba 6-6-11-1302, Sendai City, Miyagi 980-8579, Japan |
| Abstract: | The capability of theoretical durability studies to offer an efficient alternative methodology for predicting the potential performance of catalysts has improved in recent years. In this regard, multi-scale theoretical methods for predicting sintering behavior of Pt on various catalyst supports are being developed. Various types of Pt diffusions depending on support were confirmed by the micro-scale ultra accelerated quantum chemical molecular dynamics (UA-QCMD) method. Moreover, macro-scale sintering behavior of Pt/γ-Al2O3, Pt/ZrO2 and Pt/CeO2 catalysts were studied using a developed 3D sintering simulator. Experimental results were well reproduced. While Pt on γ-Al2O3 sintered significantly, Pt on ZrO2 sintered slightly and Pt on CeO2 demonstrated the highest stability against sintering. |
| Keywords: | Sintering Diffusion Pt γ-Al2O3 ZrO2 CeO2 |
| 本文献已被 ScienceDirect 等数据库收录！ | |