Rational design of two-dimensional layered aluminophosphates with [Al3P416]3- stoichiometry

Bin Zhou, Jihong Yu, Jiyang Li, Yihua Xu, Wenguo Xu, Shilun Qiu, Ruren Xu*

*此作品的通讯作者

科研成果: 期刊稿件文章同行评审

29 引用 (Scopus)

摘要

Topological analysis elucidates some general features of two dimensional (2D) 3.4-connected nets of aluminophosphates with Al3P4O163- stoichiometry. It proves that four-membered rings (4MRs) are essential for the construction of their networks. The distinct 2D sheets of Al3P4O163- layers, including both known and hypothetical nets, are systematically generated by computer. Calculation results show that a large number of 2D nets are energetically feasible compared to the known 2D nets. This suggests that they are likely to be synthesized under certain conditions. The secondary building units (SBUs) constructing the 2D networks of Al3P4O163- layers are commonly found as capped 6MRs (SBU1), double-diamond rings (SBU2), branched edge-sharing double 4MRs (SBU3), and double intergrown-capped 6MRs (SBU4). Some typically hypothetical 2D nets including novel 4.6, 4.6.8, 4.6.8.12, 4.8, and 4.6.10 nets, which have lower energies, are described in this paper. The calculated bond lengths and bond angles are in agreement with those of the existing AlPOs. This work represents a rational way to design the 2D layered materials.

源语言英语
页(从-至)1094-1099
页数6
期刊Chemistry of Materials
11
4
DOI
出版状态已出版 - 1999
已对外发布

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Zhou, B., Yu, J., Li, J., Xu, Y., Xu, W., Qiu, S., & Xu, R. (1999). Rational design of two-dimensional layered aluminophosphates with [Al3P416]3- stoichiometry. Chemistry of Materials, 11(4), 1094-1099. https://doi.org/10.1021/cm981059w