De novo synthesis of a metal-organic framework material featuring ultrahigh surface area and gas storage capacities.
Metal-organic frameworks--a class of porous hybrid materials built from metal ions and organic bridges--have recently shown great promise for a wide variety of applications. The large choice of building blocks means that the structures and pore characteristics of the metal-organic frameworks can be tuned relatively easily. However, despite much research, it remains challenging to prepare frameworks specifically tailored for particular applications. Here, we have used computational modelling to design and predictively characterize a metal-organic framework (NU-100) with a particularly high surface area. Subsequent experimental synthesis yielded a material, matching the calculated structure, with a high BET surface area (6,143 m(2) g(-1)). Furthermore, sorption measurements revealed that the material had high storage capacities for hydrogen (164 mg g(-1)) and carbon dioxide (2,315 mg g(-1))--gases of high importance in the contexts of clean energy and climate alteration, respectively--in excellent agreement with predictions from modelling.
Department of Chemistry and International Institute for Nanotechnology, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208, USA.
Omar K
OK
Farha
A Özgür
AÖ
Yazaydın
Ibrahim
I
Eryazici
Christos D
CD
Malliakas
Brad G
BG
Hauser
Mercouri G
MG
Kanatzidis
SonBinh T
ST
Nguyen
Randall Q
RQ
Snurr
Joseph T
JT
Hupp
D003198:Computer Simulation; D018360:Crystallography, X-Ray; D005740:Gases; D008670:Metals / Q000737:chemistry*; D009930:Organic Chemicals / Q000737:chemistry*; D013499:Surface Properties; D013818:Thermogravimetry
D005740:Gases; D008670:Metals; D009930:Organic Chemicals