Atomic-scale insights into rare earth Oxo-Cation stabilization in HY zeolites: A periotic DFT study

已完结 10 由凌云木发布于 2025/6/27 22:16:05

DOI:10.1016/j.commatsci.2025.113955
作者：Minghui Shen ,?Huimin Guan ,?Qiang Li ,?Li Zhang ,?Shengyu Se ,?Xiaofeng Du ,?Yucai Qin ,?Lijuan Song
文献类型：期刊论文
补充材料：只需要正文

Elsevier

Abstract：This study systematically investigates the stabilization mechanisms and structural-electronic modulation of rare earth cations (La3+, Ce3+, Y3+) at distinct crystallographic sites (SI’, SII,

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