Morphology Design of Porous Coordination Polymer Crystals by Coordination Modulation

被引:401
作者
Umemura, Ayako [1 ]
Diring, Stephane [1 ,2 ]
Furukawa, Shuhei [1 ,2 ]
Uehara, Hiromitsu [1 ]
Tsuruoka, Takaaki [1 ,3 ]
Kitagawa, Susumu [1 ,2 ]
机构
[1] Japan Sci & Technol Agcy JST, ERATO Kitagawa Integrated Pores Project, Shimogyo Ku, Kyoto 6008815, Japan
[2] Kyoto Univ, Inst Integrated Cell Mat Sci ICeMS, Sakyo Ku, Kyoto 6068501, Japan
[3] Konan Univ, Chuo Ku, Kobe, Hyogo 6500047, Japan
关键词
METAL-ORGANIC FRAMEWORKS; CATALYTIC-ACTIVITY; ACID CATALYSIS; ZSM-5; CRYSTALS; THIN-FILMS; GROWTH; CU-3(BTC)(2); SORPTION; STORAGE; NUCLEATION;
D O I
10.1021/ja204233q
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The design of crystal morphology, or exposed crystal facets, has enabled the development (e.g., catalytic activities, material attributes, and oriented film formation) of porous coordination polymers (PCPs) without changing material compositions. However, because crystal growth mechanisms are not fully understood, control of crystal morphology still remains challenging. Herein, we report the morphology design of [Cu-3(btc)(2)](n) (btc = benzene-1,3,5-tricarboxylate) by the coordination modulation method (modulator = n-dodecanoic acid or lauric acid). A morphological transition (octahedron-cuboctahedron-cube) in the [Cu-3(btc)(2)](n) crystal was observed with an increase in concentration of the modulator. By suitably defining a coarse-grained standard unit of [Cu-3(btc)(2)](n) as its cuboctahedron main pore and determining its attachment energy on crystal surfaces, Monte Carlo coarse-grain modeling revealed the population and orientation of carboxylates and elucidated an important role of the modulator in determining the < 100 >- and < 111 >-growth throughout the crystal growth process. This comprehension, in fact, successfully led to designed crystal morphologies with oriented growth on bare substrates. Because selective crystal orientations on the bare substrates were governed by crystal morphology, this contribution also casts a new light on the unexplored issue of the significance of morphology design of PCPs.
引用
收藏
页码:15506 / 15513
页数:8
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