Silver nanoparticles are extensively used due to their chemical and physical properties and promising applications in areas such as medicine and electronics. Controlled synthesis of silver nanoparticles remains a major challenge due to the difficulty in producing long-term stable particles of the same size and shape in aqueous solution. To address this problem, we examine three strategies to st...

This critical review covers the application of computer simulations, including quantum calculations (ab initio and DFT), grand canonical Monte-Carlo simulations, and molecular dynamics simulations, to the burgeoning area of the hydrogen storage by metal-organic frameworks and covalent-organic frameworks. This review begins with an overview of the theoretical methods obtained from previous studi...

copper oxide nanostructures have been successfully synthesized via one-step solid-state thermolysis of two metal-organic frameworks, [cu3(btc)2] (1) and [cu(tpa).(dmf)] (2), (btc = benzene-1,3,5-tricarboxylate, tpa = therephtalic acid = 1,4-benzendicarboxylic acid and dmf = dimethyl formamide) under air atmosphere at 400,  500, and 600°c. it has also been found that the reaction temperature pla...

Metal-organic frameworks comprising metal-carboxylate cluster vertices and long, branched organic linkers are the most porous materials known, and therefore have attracted tremendous attention for many applications, including gas storage, separations, catalysis and drug delivery. To increase metal-organic framework porosity, the size and complexity of linkers has increased. Here we present a pr...

The synthesis and physical properties of dioxole functionalized metal-organic frameworks (MOFs) are reported. Combination of benzo[d][1,3]dioxole-4,7-dicarboxylic acid (dioxole-BDC) and Zn(II) under solvothermal conditions yields either an isoreticular metal-organic framework analog (IRMOF-1-dioxole) or a new MOF material (MOF-1-dioxole). With the addition of a co-ligand, namely 4,4'-bipyridine...

Multiphoton upconversion is a process where two or more photons are absorbed simultaneously to excite an electron to an excited state and, subsequently, the relaxation of electron gives rise to the emission of a photon with frequency greater than those of the absorbed photons. Materials possessing such property attracted attention due to applications in biological imaging, photodynamic therapy,...

The thermocatalytic hydrogenation of carbon dioxide (CO2) to methanol is considered as a potential route for green hydrogen storage well mean utilizing captured CO2, owing the many established applications methanol. Copper–zinc bimetallic catalysts supported on zirconium-based UiO-66 metal–organic framework (MOF) were prepared via slurry phase impregnation and benchmarked against promoted, co-p...

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...