The C 1sXPS peak of the NiCuCr/C (Supplementary Fig.8) can be deconvoluted into three peaks at 284.8, 286.1, and 289.5 eV, assigned to the C−C, C−O, and C=O bond, respectively. The coordination environments of NiCuCr/C were further characterized by X-ray absorption fine st...
Hydrogen bond energies have been determined for ClHCl-, BrHBr-, and IHI- in systems designed to minimize lattice energy effects and specific cation-union interaction. Hydrogen bond energies were found to be 14.2, 12.8, and 12.4 kcal./ mo... RE Vallee,DH Mcdaniel - 《Journal of the Americ...
Molecular hydrogen has a number of characteristics that make it a suitable energy carrier in meeting future energy needs. These include its renewable nature, high energy yield, ease of conversion to electricity and CO2-free combustion. Despite being the most abundant element in the universe, compris...
(HCNB)n polymer has all of the atoms in plane, which allows for conjugation of π-electrons. The band gap of ∼2.8 eV at MBPT(2) level for (HCNB)n puts this species among semiconductors, with a possibility of further improvements of its properties by doping. (HCNBH)n polymer has ...
Results show that Strategy 1 outperforms Strategy 2 in terms of higher energy efficiency of 5.38% and exergy efficiency of 5.46%. However, the specific energy consumption is higher with Strategy 1 owing to higher pump power consumption, which is 6.15 kWh/Nm3....
atoms in H2O. The wavenumber change of O−H in H2O is an asymmetrical stretching energy (ΔE) is often negative. The larger the absolute value of ΔE the stronger the strength of the correspond- ing hydrogen-bond. In this work, the ΔE values of different geometries are drawn as ...
the energy barrier of this step has been correlated with hydrogen-bond length, dO…H, in double perovskites,37ternary oxides,38and sulfate solid acids.8Based on a high-throughput screening of double perovskites, Islam et al.37found that smaller B-site cations with lower oxidation states lead ...
Single- and Two-State Reactivity in the Gas-Phase C−H Bond Activation of Norbornane by 'Bare' FeO The potential-energy surface for C−H bond activation of norbornane by 'bare' FeO+ is examined at the B3LYP/6-31G** level of theory. The free ... Nathan,Harris,Sason,... -...
Raman spectroscopic analysis in Fig. 1b reveals that at the laser excitation energy of 1.96 eV, GNF-1050C has a D/G band intensity ratio of 1.45 ± 0 .03, consistent with the defective nature (Methods), we note of graphene. that the D/G After band annealing in a ...
The presence of oxygen vacancies in PdFe2O3 improved the activity displaying similar mass activity than PdPt and higher than PdAu. Spectroelectrochemical tests revealed that the improved activity was related to changes in chemisorption energies due to shifts found for the C1‒M (metal) bond. ...