沸石
六角棱镜
形态学(生物学)
高分辨率透射电子显微镜
材料科学
催化作用
曲面(拓扑)
纳米技术
六方晶系
化学工程
结晶学
几何学
化学
数学
地质学
有机化学
透射电子显微镜
工程类
古生物学
作者
Yunlei Chen,Xiangyu Zhang,Chunli Zhao,Yifeng Yun,Pengju Ren,Wenping Guo,James P. Lewis,Yong Yang,Yongwang Li,Xiaodong Wen
标识
DOI:10.1021/acs.jpcc.8b08556
摘要
We have developed a computational framework to simulate the external surface structure of zeolites and used it to examine the surface structures and morphology of the K-LTL zeolite system with varying Si/Al ratio. Our calculated result shows that the {100} and {110} surfaces exhibit cancrinite cages and the {001} surface terminates with double six ring cages for each Si/Al ratio of the K-LTL zeolite. HRTEM images verified the calculated result. The Wulff construction presents a hexagonal prism and the length/dimeter ratio of the shape becomes smaller with gradually decreasing Si/Al ratio. Furthermore, we found that Pt metals present hugely different stabilities and electronic properties on the external and inner surfaces. Our computational protocol is easily extended to all other zeolite systems, thereby providing a deeper understanding of morphology modifications and the interfacial interactions between metals and zeolites.
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