Abstract Lithium–sulfur (Li–S) batteries, boasting a high theoretical energy density, have garnered significant attention. However, their application across wide temperature range remains hindered by the exacerbation of polysulfide shuttle effect and sluggish reaction kinetics. Herein, this work designs nanocomposite electrocatalyst consisting Ni nanoparticles anchored onto carbon nanotubes (de...

This work reports an electronic structure tuning strategy to synthesize Fe-Ni 3 Co 2 LDH derived from metal-organic framework (MOF). The performs well in both supercapacitor and oxygen evolution reaction.

The engineering of high-performance battery-type electrode materials highly depends on the guidance from combination experimental analysis and theoretical simulation. Herein, joint experimental–theoretical investigation provides a mechanistic explanation for electrochemical performance enhancement in bimetallic metal–organic frameworks (MOFs). superior CoNi-MOF our study exhibits advanced energ...

Structural deformation and collapse in metal-organic frameworks (MOFs) can lead to loss of long-range order, making it a challenge to model these amorphous materials using conventional computational methods. In this work, we show that a structure-property map consisting of simulated data for crystalline MOFs can be used to indirectly obtain adsorption properties of structurally deformed MOFs. T...

The pillared-layer metal-organic framework of Ni2(BTEC)(bipy)3.3DMF.2H2O  (BTEC = 1,2,4,5-benzenetetracarboxylate; bipy = 4,4́-bipydine; DMF =N,Ń-dimethylformamide) was prepared, characterized and used as a precursor for preparation of NiO nanoparticles. The morphology and structure of NiO nanoparticles were characterized by XRD, SEM, FT-IR and EDX techniques.  I...

The synthesis and structure of a new flexible metal-organic framework Ni(2)(2,6-ndc)(2)(dabco) (DUT-8(Ni), DUT = Dresden University of Technology, 2,6-ndc = 2,6-naphthalenedicarboxylate, dabco = 1,4-diazabicyclo[2.2.2]octane) as well as its characterization by gas adsorption and (129)Xe NMR spectroscopy is described. The compound shows reversible structural transformation without loss of crysta...

This study simulated the adsorption and separation of CO2 by metal-organic frameworks material M-MOF-74, established skeleton model M-MOF-74 series adsorbent, calculated pure component gas CO2/N2 mixed on MMOF- 74 adsorbent grand canonical Monte Carlo method. Among performances MOF-74 materials with metal centers Mg, Co, Ni, Zn, Mg-MOF-74 had highest capacity, selection coefficient heat. When w...

In summary, a novel structure of MOF based on 1,4–di ([2,2':6',2''terpyridin] -4'-yl)benzene and 1,4-naphthalenedicarboxylic acid has been constructed through hydrothermal reaction. The Ni-MOF displays one dimensional zigzag chain, which connect each other by hydrogen bonding to form three supramolecule with large channels. conjugated systems the terpyridin benzene ligands enhance chain rigidit...