Evidence for hydrogen bonding of bound dioxygen to the distal histidine of oxycobalt myoglobin and haemoglobin The origin of the differences in oxygen binding energy in various haemoglobins and myoglobins has long been debated. Perutz 1 proposed that the haem-coordinated histidine (proximal histidine)...
The method of chemisorption equilibria was applied to the determination of the energy of bonding of the surface of a nickel catalyst with oxygen. Values of 57.1–57.9 kcal were obtained for the region of medium coverages.doi:10.1007/BF01169399S. L. Kiperman...
matrix to avoid the contribution of the LOER. Simultaneously, the coordination environment of single-atomic Ru can be tailored to engineer its electronic properties with the optimized oxygen intermediates bonding energy. The so-called metal-nitrogen-carbon-based (M-N-C) single-atom catalysts with th...
Low-energy H+ ions are scattered from condensed O2 and H2O layers formed on the Pt(111) surface in order to investigate the nature of bonding of molecular solids on the basis of the neutralization of H+. The H+ yield from the H2O layer is found to be less than 1/60 of that from ...
This proposed mechanism is supported by in situ surface-enhanced Fourier-transform infrared spectroscopy and our simulation of PCET kinetics based on computed proton vibrational wavefunctions at the hydrogen-bonding interface. These findings highlight opportunities for using non-covalent interactions between...
However, while there is an increase of the adsorption energy, the distance of O2O2 molecule to the oxide surface atoms remains unaffected. The same happens to the O-O distance and to the charge transfer to the O2O2 molecule. This means that the bonding properties between O2O2 and oxide ...
PeterStrasser,HirohitoOgasawara, inChemical Bonding at Surfaces and Interfaces, 2008 4.1.1Background TheORRmechanism is very complex and involves a number of different adsorbate intermediates. In addition to its complex reduction mechanism, the relatively high thermodynamic electrode potential of the ORR ...
摘要: A displacement threshold at 310 keV has been observed by electrical measurements in single crystal ZnO and has been identified as the minimum electron energy required for oxygen displacements by observing the production of F - centers above this threshold with EPR....
We study the nature of the electron pairing at the most important critical points of the singlet potential energy surface of the 2O2 O4 reaction and its evolution along the reaction coordinate using the electron pair localization function (EPLF) [Scemama, A.; Chaquin, P.; Caffarel, M. J. ...
The large bonding energy of Ti–O and the decreased lattice free volume with Ti substitution lead to increased activation energy of oxygen permeation, which, combined with the decreased oxygen vacancy concentration, is responsible for the decreased oxygen permeation flux. Nevertheless, sufficiently high...