The synthesis of Mg3(NDC)3(DEF)4 (NDC = 2,6-naphthalenedicarboxylate, DEF = N,N-diethylformamide, 1), the first porous metal-organic framework solid incorporating Mg2+ ions, is reported. Its structure consists of linear Mg3 units linked via NDC bridges to form a three-dimensional framework, featuring one-dimensional channels filled with DEF molecules. Significantly, its framework is fully analo...

We present a study on the kinetics of oxygen adsorption and desorption from single-wall carbon nanotube ~SWNT! and highly oriented pyrolytic graphite ~HOPG! samples. Thermal-desorption spectra for SWNT samples show a broad desorption feature peaked at 62 K, which is shifted to a significantly higher temperature than the low-coverage desorption feature on HOPG. The low-coverage O2 binding energy...

Bare clusters of five Cu atoms, synthesized electrochemically, display remarkable oxidation stability on highly oriented pyrolytic graphite. They exhibit reversible O2 adsorption, transitioning between various states with changes in temperature and pressure. In-situ XPS XANES spectroscopy experiments, along theoretical characterizations Cu5–(O2)n complexes, provide direct evidence the Cu5 clust...

The porphyrinic metal-organic framework (MOF) PCN-224 is metalated with Fe(II) to yield a 4-coordinate ferrous heme-containing compound. The heme center binds O2 at -78 °C to give a 5-coordinate heme-O2 complex. For the first time, this elusive species is structurally characterized, revealing an Fe(III) center coordinated to superoxide via an end-on, η(1) linkage. Mössbauer spectroscopy support...

Herein, a series of Co-Fe mixed oxide modified ZSM-5 adsorbents were synthesized using the ultrasonic-assisted impregnation method for capture elemental mercury. In comparison with other samples, Co4Fe1-ZSM-5 produced relatively better performance, removal efficiency around 96.6% Hg0 and adsorption capacity 901.63 ug/mg achieved at 120 °C. The interaction between CoOx FeOx improved reducibility...

An accurate description of oxygen dissociation pathways and kinetics for various local adlayer environments is key for an understanding not just of the coverage dependence of oxygen sticking, but also of reactive steady states in oxidation reactions. Density functional theory analysis for M(100) surfaces with M=Pd, Rh, and Ni, where O prefers the fourfold hollow adsorption site, does not suppor...

Adsorption of flue gases by single-wall carbon nanotubes (SWCNT) has been studied by means of Monte Carlo simulations. The flue gas is modeled as a ternary mixture of N2, CO2, and O2, emulating realistic compositions of the emissions from power plants. The adsorbed flue gas is in equilibrium with a bulk gas characterized by temperature T, pressure p, and mixture composition. We have considered ...

the density of state and the natural bond orbital calculations were carried out to study theoxidation of co on au14 nano cluster through two different mechanisms and determining the bestmechanism for the reaction. chemisorption of o2 and co on the nano cluster led to change in energy,density of state and its thermodynamic properties. we calculated the energy band gap between thehighest occupied...