The presence of water often gives rise to oxygen adsorption on catalyst surfaces through decomposition of water and the adsorbed oxygen or hydroxide species often occupy important surfaces sites, resulting in a decrease or a total hindrance of other chemical reactions taking place at that site. In this study, we present theoretical investigations of the influence of oxygen adsorption and reduct...

Additional resources and features associated with this article are available within the HTML version: • Supporting Information • Access to high resolution figures • Links to articles and content related to this article • Copyright permission to reproduce figures and/or text from this article Supported vanadium oxides processed under ambient environments have been studied by using X-ray standing...

Hydrogen storage in MWNT was enhanced ®ia the catalytic acti®ity of NiMgO. The magnitude of the hydrogen to metal ratio for the MWNTrNiMgO system, combined with temperature programmed adsorption and desorption studies, showed hydrogen spillo®er from the catalyst to the carbon surface. Metal doping combined with temperature acti®ation studies showed that both nickel and magnesium are acti®e in t...

Hydrogen uptake was measured for platinum doped superactivated carbon at 296 K where hydrogen spillover was expected to occur. High pressure adsorption measurements using a Sieverts apparatus did not show an increase in gravimetric storage capacity over the unmodified superactivated carbon. Measurements of small samples (∼0.2 g) over long equilibration times, consistent with the reported proced...

Project Scope Our goal is to develop a multiscale approach to model desorption and adsorption of hydrogen in complex metal hydrides. In this initial stage of the project, we started by using density-functional-theory quantum chemical calculations to study the structure of complex metal hydrides and the interactions of hydrogen with the metal atoms in these hydrides. We analyzed the crystal stru...

ab initio calculations at the density functional theory (dft) and the second-order møller−plessetperturbation theory levels with 6-31+g(d), 6-31g(d) basis sets for non-metal atoms and lanl2dzfor metal have been performed for the adsorption of dimethyl methylphosphonate (dmmp) on znoby gaussisn 98 program. the calculated rotational constants by b3lyp/6-31g(d) are in moreagreement with the experi...

Current theories regarding the molecular mechanisms that provide protein adsorption resistance primarily focus on the characteristics of various types of surface-tethered chains and their interactions with water but often neglect their interactions with the protein. Such theories thus do not provide a complete explanation for protein adsorption resistance. The real issue that must be addressed ...

A microporous hypercrosslinked polymer resin was synthesized and shown to adsorb 3.04 wt.% hydrogen at 77 K and 15 bar; this represents the highest level of hydrogen adsorption yet observed for an organic polymer.

To investigate the effect of aging at 580 °C in wet air (humid aging) on the oxygen adsorption on the surface of SnO₂ particles, the electric properties and the sensor response to hydrogen in dry and humid atmospheres for SnO₂ resistive-type gas sensors were evaluated. The electric resistance in dry and wet atmospheres at 350 °C was strongly increased by humid aging. From the results of oxygen ...