Effective Model for Olefin/Paraffin Separation using (Co, Fe, Mn, Ni)-MOF-74

The binding nature of light hydrocarbons on Fe/MOF-74 for gas separation.

The application of a metal-organic framework (MOF) has expanded into the area of heterogeneous catalysis, gas storage and separation, drug delivery, and lightweight magnets. Herein, we investigate the nature of olefin and paraffin binding on Fe/MOF-74 and identify several factors that determine separation efficiency using the first-principles calculations. The calculated binding energies and ma...

Quantum Sieving of H2 and D2 in Fe-MOF-74

CO2 Adsorption Properties and Fine Structural Characterization of Co and Ni Based MOF-74 Using XANES/EXAFS Spectroscopy

Abstract: CO2 is one of the most important greenhouse gases and its removal from flue gas and natural gas has become increasingly important. We report the synthesis, characterization, and CO2 adsorption properties of two similar metal organic frameworks; Co and Ni based MOF-74. The BET specific surface areas of MOF-74(Co) and MOF-74(Ni) MOFs were 1,406 and 1,418 mg, respectively with the identi...

Evaluating Electrical Properties, Band Gaps and Rate Capability of Li2MSiO4 (M= Mn, Fe, Co, Ni) Cathode Materials Using DOS Diagrams

In this study, theoretical investigations of Li2MSiO4 family cathode materials, including Li2MnSiO4, Li2FeSiO4, Li2CoSiO4, and Li2NiSiO4 are performed using density functional theory (DFT), by GGA and GGA+U methods. The materials properties including electrical conductivity and rate cap...

Ternary Ni-Fe-Co Alloys Nanowire Electrodeposition

Nanowire is a cylindrical nano-structure with nanometer dimensions. In this research, the studied nanowire was made from the magnetic triple Ni-Fe-Co alloy.&#10 We utilized ordered porous anodic aluminum oxide as a template for the nanowire deposition. The nanowire arrays were electrodeposited in the cylindrical pores of the oxide layer by AC potential in a simple sulfate bath. Then the relatio...