nanostructures have considerably higher surface areas than their bulk counterparts; thereforesurfaces often play important, sometimes even dominant, roles in the nanostructure properties. thenanocrystalline and nanotubes have low band gaps and high carrier mobility, thus offeringappealing potential as absorption gas. interaction between methanol molecules and carbonnanotube is investigated usin...

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...

Exchange of the guest Mn2+ ions in Mn3[(Mn4Cl)3(BTT)8(CH3OH)10]2 (1-Mn2+; BTT=1,3,5-benzenetristetrazolate) with selected cations results in the formation of isostructural framework compounds 1-M (M=Li+, Cu+, Fe2+, Co2+, Ni2+, Cu2+, Zn2+). Similar to the parent compound, the new microporous materials are stable to desolvation and exhibit a high H2 storage capacity, ranging from 2.00 to 2.29 wt ...

A theoretical analysis of the mechanism of dimethyl carbonate (DMC) synthesis via oxidative carbonylation of methanol on Cu-exchanged Y zeolite, Cu-Y, was explored using density functional theory. These calculations show that methanol adsorbs in the presence of oxygen to form coadsorbed methoxide and hydroxide species and dimethoxide species on extraframework Cu+ cations. DMC can form by CO add...

A conservative CO2-Methanol (CH3OH) regeneration cycle, to capture and reutilize the greenhouse gas of CO2 by aqueous hydrogenation for industry-useful CH3OH and to convert aqueous CH3OH solution by dehydrogenation for the clean energy of hydrogen (H2), is demonstrated at normal temperature and pressure (NTP) with two kinds of CuMnOS nanoflower catalysts. The [Cu+]-high CuMnOS led to a CH3OH yi...

The catalytic diversity of microporous aluminosilicates reflects their unique ability to confine transition states within intracrystalline voids of molecular dimensions and the number (but not the strength) of the protons that act as Brønsted acids. Firstorder rate constants for CH3OH conversion to dimethyl ether (DME) reflect the energy of transition states relative to those for gaseous and H-...

Methanol (CH3OH) is a colorless liquid with a mild odor. The wide ranges of applications, toxicity and clinical implications of methanol have made necessary to develop reliable and high-performance methanol sensors. In this paper, WO3 thin films were deposited on SiO2/Si substrates by e-beam evaporation technique under normal and oblique angles and then post-annealed at 500 °C with a flow of ox...

The specific catalytic effect of a silica grain on the formation of methanol via the sequential addition of H atoms to CO adsorbed on the surface is investigated. A negatively charged defect on a siliceous edingtonite surface is found to reduce the gas phase barriers for the H + COads and H + H2C=Oads reactions by 770 and 399 K, respectively, when compared to the same reactions in the gas phase...

Two-dimensional infrared (2DIR) spectroscopy, which has been proven to be an excellent experimental method for studying thermally-driven chemical processes, was successfully used to investigate the acid dissociation equilibrium of HN3 in methanol (CH3OH) and dimethyl sulfoxide (DMSO) for the first time. Our 2DIR experimental results indicate that the acid-base equilibrium occurs on picosecond t...