TY - JOUR
T1 - Rational design of two-dimensional layered aluminophosphates with [Al3P416]3- stoichiometry
AU - Zhou, Bin
AU - Yu, Jihong
AU - Li, Jiyang
AU - Xu, Yihua
AU - Xu, Wenguo
AU - Qiu, Shilun
AU - Xu, Ruren
PY - 1999
Y1 - 1999
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=0000610616&partnerID=8YFLogxK
U2 - 10.1021/cm981059w
DO - 10.1021/cm981059w
M3 - Article
AN - SCOPUS:0000610616
SN - 0897-4756
VL - 11
SP - 1094
EP - 1099
JO - Chemistry of Materials
JF - Chemistry of Materials
IS - 4
ER -