A Combined Experimental and Theoretical Study on the Extraction of Uranium by Amino-Derived Metal–Organic Frameworks through Post-Synthetic Strategy

2016 ◽  
Vol 8 (45) ◽  
pp. 31032-31041 ◽  
Author(s):  
Linnan Li ◽  
Wen Ma ◽  
Sensen Shen ◽  
Hexiang Huang ◽  
Yu Bai ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Metal Organic Frameworks ◽  
Synthetic Strategy ◽  
Metal Organic

scholarly journals A combined experimental and theoretical study of gas sorption on nanoporous silver triazolato metal–organic frameworks

2014 ◽  
Vol 183 ◽  
pp. 62-68 ◽  
Author(s):  
Guang Yang ◽  
Juan A. Santana ◽  
Milton E. Rivera-Ramos ◽  
Omar García-Ricard ◽  
Jose J. Saavedra-Arias ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Metal Organic Frameworks ◽  
Gas Sorption ◽  
Metal Organic

scholarly journals Hydrogen adsorption in Metal-Organic Frameworks Cu-BTC and Fe-BTC:A comparative theoretical study.

2019 ◽  
Vol 1221 ◽  
pp. 012016 ◽  
Author(s):  
A Castañeda ◽  
M Jurado ◽  
O. Matz ◽  
M Calatayud ◽  
E Rojas ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Hydrogen Adsorption ◽  
Metal Organic Frameworks ◽  
Metal Organic

Obtaining Chiral Metal–Organic Frameworks via a Prochirality Synthetic Strategy with Achiral Ligands Step-by-Step

2014 ◽  
Vol 53 (7) ◽  
pp. 3434-3440 ◽  
Author(s):  
Huan Dong ◽  
Hailiang Hu ◽  
Yang Liu ◽  
Jun Zhong ◽  
Guangju Zhang ◽  
...  
Keyword(s):  
Metal Organic Frameworks ◽  
Synthetic Strategy ◽  
Metal Organic

Selective gas adsorption in microporous metal–organic frameworks incorporating urotropine basic sites: an experimental and theoretical study

2015 ◽  
Vol 51 (73) ◽  
pp. 13918-13921 ◽  
Author(s):  
S. A. Sapchenko ◽  
D. N. Dybtsev ◽  
D. G. Samsonenko ◽  
R. V. Belosludov ◽  
V. R. Belosludov ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Ab Initio ◽  
Coordination Polymers ◽  
Theoretical Study ◽  
Gas Adsorption ◽  
Selective Adsorption ◽  
Metal Organic Frameworks ◽  
Porous Coordination Polymers ◽  
Basic Sites ◽  
Metal Organic

Urotropine-based porous coordination polymers with free N-donors demonstrate selective adsorption towards acidic gas substrates (C2H2 or CO2) as confirmed by isotherm measurements and ab initio DFT calculations.

Theoretical Study of Amino Acid Interaction with Metal Organic Frameworks

2011 ◽  
Vol 2 (4) ◽  
pp. 272-275 ◽  
Author(s):  
Emmanuel N. Koukaras ◽  
Aristides D. Zdetsis ◽  
George E. Froudakis
Keyword(s):  
Amino Acid ◽  
Theoretical Study ◽  
Metal Organic Frameworks ◽  
Acid Interaction ◽  
Metal Organic ◽  
Amino Acid Interaction

Metal Organic Frameworks-Templated Hollow Mn2NiO4 Flower for Enhanced Supercapacitor Electrodes

2017 ◽  
Vol 890 ◽  
pp. 68-73 ◽  
Author(s):  
Zhou Ran Zhang ◽  
Yi Zhong Huang ◽  
Shu Xin Bai
Keyword(s):  
Metal Organic Frameworks ◽  
High Specific Capacitance ◽  
High Specific Surface Area ◽  
Design Guidelines ◽  
Fast Diffusion ◽  
Synthetic Strategy ◽  
Different Temperatures ◽  
Metal Organic ◽  
Large Contact Area ◽  
A Current

A facile strategy of uniform flower-shaped binary-metal-based metal-organic frameworks (MOFs) has been successfully synthesized via a simple hydrothermal method as the precursor of porous Mn2NiO4 nanostructures. After heat treatment at different temperatures, the as-prepared Mn2NiO4 inherits the morphologies of MOFs and can hold until 450°C. This porous Mn2NiO4, used as supercapacitor electrodes, exhibits a high specific capacitance (531.5 F g-1 at a current density of 1.0 A g-1), with a relatively high specific surface area (114.2 m2 g-1). The high capacitance is mainly attributed to the porous and hierarchical structure, which facilitates fast diffusion of active ions, improves structural stability and large contact area between Mn2NiO4 and the electrolyte. The developed synthetic strategy may provide design guidelines for constructing advanced ternary nanostructured supercapacitors electrode.

Experimental and theoretical study on selenate uptake to zirconium metal–organic frameworks: Effect of defects and ligands

2017 ◽  
Vol 330 ◽  
pp. 1012-1021 ◽  
Author(s):  
Jie Li ◽  
Yang Liu ◽  
Xiangxue Wang ◽  
Guixia Zhao ◽  
Yuejie Ai ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Metal Organic Frameworks ◽  
Metal Organic ◽  
Zirconium Metal
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