Function-led design of new porous materials

被引:1374
作者
Slater, Anna G.
Cooper, Andrew I. [1 ]
机构
[1] Univ Liverpool, Dept Chem, Liverpool L69 7ZD, Merseyside, England
基金
英国工程与自然科学研究理事会;
关键词
METAL-ORGANIC FRAMEWORKS; CONJUGATED MICROPOROUS POLYMERS; MOLECULAR-DYNAMICS SIMULATIONS; CARBON-DIOXIDE CAPTURE; THERMAL-CONDUCTIVITY; AROMATIC FRAMEWORK; TARGETED SYNTHESIS; GAS-ADSORPTION; WATER; EFFICIENT;
D O I
10.1126/science.aaa8075
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
摘要
Porous solids are important as membranes, adsorbents, catalysts, and in other chemical applications. But for these materials to find greater use at an industrial scale, it is necessary to optimize multiple functions in addition to pore structure and surface area, such as stability, sorption kinetics, processability, mechanical properties, and thermal properties. Several different classes of porous solids exist, and there is no one-size-fits-all solution; it can therefore be challenging to choose the right type of porous material for a given job. Computational prediction of structure and properties has growing potential to complement experiment to identify the best porous materials for specific applications.
引用
收藏
页数:11
相关论文
共 128 条
[1]   Atomistic Structure Generation and Gas Adsorption Simulations of Microporous Polymer Networks [J].
Abbott, Lauren J. ;
Colina, Coray M. .
MACROMOLECULES, 2011, 44 (11) :4511-4519
[2]   A colloidal water-stable MOF as a broad-range fluorescent pH sensor via post-synthetic modification [J].
Aguilera-Sigalat, Jordi ;
Bradshaw, Darren .
CHEMICAL COMMUNICATIONS, 2014, 50 (36) :4711-4713
[3]   Prediction of Structure and Properties of Boron-Based Covalent Organic Frameworks by a First-Principles Derived Force Field [J].
Amirjalayer, Saeed ;
Snurr, Randall Q. ;
Schmid, Rochus .
JOURNAL OF PHYSICAL CHEMISTRY C, 2012, 116 (07) :4921-4929
[4]   Mechanical properties of cubic zinc carboxylate IRMOF-1 metal-organic framework crystals [J].
Bahr, D. F. ;
Reid, J. A. ;
Mook, W. M. ;
Bauer, C. A. ;
Stumpf, R. ;
Skulan, A. J. ;
Moody, N. R. ;
Simmons, B. A. ;
Shindel, M. M. ;
Allendorf, M. D. .
PHYSICAL REVIEW B, 2007, 76 (18)
[5]   Discovery of optimal zeolites for challenging separations and chemical transformations using predictive materials modeling [J].
Bai, Peng ;
Jeon, Mi Young ;
Ren, Limin ;
Knight, Chris ;
Deem, Michael W. ;
Tsapatsis, Michael ;
Siepmann, J. Ilja .
NATURE COMMUNICATIONS, 2015, 6
[6]  
Beaudoin D, 2013, NAT CHEM, V5, P830, DOI [10.1038/nchem.1730, 10.1038/NCHEM.1730]
[7]   Targeted Synthesis of a Porous Aromatic Framework with High Stability and Exceptionally High Surface Area [J].
Ben, Teng ;
Ren, Hao ;
Ma, Shengqian ;
Cao, Dapeng ;
Lan, Jianhui ;
Jing, Xiaofei ;
Wang, Wenchuan ;
Xu, Jun ;
Deng, Feng ;
Simmons, Jason M. ;
Qiu, Shilun ;
Zhu, Guangshan .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2009, 48 (50) :9457-9460
[8]   Thiophene-based covalent organic frameworks [J].
Bertrand, Guillaume H. V. ;
Michaelis, Vladimir K. ;
Ong, Ta-Chung ;
Griffin, Robert G. ;
Dinca, Mircea .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2013, 110 (13) :4923-4928
[9]   Heme-Like Coordination Chemistry Within Nanoporous Molecular Crystals [J].
Bezzu, C. Grazia ;
Helliwell, Madeleine ;
Warren, John E. ;
Allan, David R. ;
McKeown, Neil B. .
SCIENCE, 2010, 327 (5973) :1627-1630
[10]   Hydrocarbon Separations in a Metal-Organic Framework with Open Iron(II) Coordination Sites [J].
Bloch, Eric D. ;
Queen, Wendy L. ;
Krishna, Rajamani ;
Zadrozny, Joseph M. ;
Brown, Craig M. ;
Long, Jeffrey R. .
SCIENCE, 2012, 335 (6076) :1606-1610