Neutron scattering by oxygen gas at 100 bar has been measured. The observed differential cross-section at high Q-values is fitted to a form-factor dependent on the molecular geometry. At lower Q-values there are coherent contributions from intermolecular and magnetic correlations. Molecular dynamics...
Extended X-ray absorption fine structure (EXAFS) k2χ(R) spectra of cobalt K-edge (Fig.2c) were employed to probe the local geometry of cobalt. There are two scattering paths around the absorbing Co ions of CoOOH NR and NS. The first peak located at ~1.44 Å is attributed to th...
Full size image Distortions in the geometry of O(Al)n(n = 3–4) sites lead to the variations forPQ(quadrupole interaction product) andδcs(isotropic chemical shift) values (see Supplementary Table1), as observed in the case of γ-alumina15, glasses45and zeolites34. In comparison, OI...
Notably, when a dry gas was used (nitrogen from a gas cylinder) no porosity was observed (Fig. S6.1, Supplementary Material), which was attributed to low humidity. The analysis of the pore sizes showed a distribution with a coefficient of variation of ∼0.9 and an average pore area of ...
By this means, oxygen concentrations in the effluent nitrogen were determined as a function of varying nitrogen flow rates, at nitrogen gas pressures of 4.4 and 7.8 atm (absolute), within the tubing bore. All measurements were also carried out at ambient temperatures of 21 ± 1°C. In ...
Hehre a b - 《Journal of Molecular Structure Theochem》 被引量: 20发表: 2001年 Proton affinity of para-substituted acetophenones in gas phase and in solution: a theoretical study HCO*CH with X=H, F, Cl, Br, I, Me, CF, CN, NO, OCH, NH, CHOH, N(CH), OH, $ {\text{NH}}...
Oxygen evolution reaction (OER) plays an important role in both water splitting process and greenhouse gas (CO2) reduction. With the increasing concerns in environmental issues and clean energy sources, a highly efficient OER reaction is desired nowadays. However, the sluggish kinetics has been limit...
The chemisorption of 1-decanethiol on the Au(111) single crystal has been studied with synchrotron-based, high-resolution photoemission spectroscopy with molecular film prepared from both gas-phase dosing and solution immersion to vary s... Y.,W.,Yang,... - 《Langmuir》 被引量: 0发表: 2002...
which is stabilized against evolution as oxygen gas in the presence of 4dand 5dTMs due to the increased TM–O hybridization and improved band alignment over 3dTMs22. Ceder and coworkers, meanwhile, have predicted that O–O dimerization should only occur in the presence ofd0andd10cations due ...
To assess the DFT calculations and provide further evidence of the acid sites, we have used15N MAS NMR of absorbed acetonitrile (ACN, a weak base) from the gas or liquid phase to distinguish the acidity strength of –OH (phenolic/hydroxyl) and –COOH (Ar/R-carboxylic) due to the high ...