Fine structures of zeolite-linde-L (LTL): Surface structures, growth unit and defects

被引:75
作者
Ohsuna, T
Slater, B [2 ]
Gao, FF
Yu, JH
Sakamoto, Y
Zhu, GS
Terasaki, O
Vaughan, DEW
Qiu, SL
Catlow, CRA
机构
[1] Tohoku Univ, Mat Res Inst, Sendai, Miyagi 9808577, Japan
[2] Univ Stockholm, Arrhenius Lab, S-10691 Stockholm, Sweden
[3] UCL Royal Inst Great Britain, Davy Faraday Res Lab, London W1S 4BS, England
[4] Jilin Univ, State Key Lab Inorgan & Preparat Chem, Changchun 130023, Peoples R China
[5] Tohoku Univ, Dept Phys, Sendai, Miyagi 9808578, Japan
[6] Penn State Univ, Mat Res Inst, University Pk, PA 16802 USA
[7] UCL, Christopher Ingold Labs, London WC1H 0AJ, England
关键词
computer simulations; defects; electron microscopy; surfaces; zeolites;
D O I
10.1002/chem.200306064
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
High-resolution electron microscopy (HREM) has been used to image the surface structure of nano- and micrometer-sized synthetic crystals of zeolite-Linde-L (LTL). Columnar holes and rotational, nano-sized, wheel-like defects were observed within the crystals, where the hole has a minimum size equal to that of the rotational defect. Predictions of surface structure from atomistic computer simulation concur with the observations from HREM and provide insight into the crystal growth mechanism of perfect and defective LTL. Analysis of the energetics of the formation of rotational defect structures reveals that the driving force for defect creation is thermodynamic and furthermore, the rotational defects could be created in high concentrations. Formation of a columnar hole is found to be slightly energetically unfavourable and therefore we speculate that the incidence of both rotational and nano-sized vacancy defects is strongly dependent on kinetic factors and reaction conditions. The morphology of nano- and microcrystalline LTL is contradistinct and we use insights from simulation to propose an explanation of the disparity in crystal shape.
引用
收藏
页码:5031 / 5040
页数:10
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