Density functional theory calculations indicate that the electron-deficient sites show a much lower energy barrier (0.76 eV) for the potential determining step compared with that of the pristine NiFe-LDH (2.02 eV). Benefiting from this, the NiFe-LDH with oxygen vacancies exhibits the greatly ...
Boride-derived oxygen-evolution catalysts Article19 October 2021 Pd hydride metallene aerogels with lattice hydrogen participation for efficient hydrogen evolution reaction Introduction Hydrogen, a carbon-free renewable energy source with the highest gravimetric energy density, is widely regarded as a useful ...
The cycle of surface Cu(II)/Cu(I) redox couple and lattice oxygen (O)/O2 were responsible for PMS activation. Besides, the OVs with localized electrons may directly activate PMS through single electron transfer pathway to generate surface-bound hydroxyl radical (OH) and sulfate radical (SO4),...
Theory-guided construction of electron-deficient sites via removal of lattice oxygen for the boosted electrocatalytic synthesis of ammonianitrogen reductiondensity functional theoryoxygen vacancieselectron-deficient sitesRational design of catalytic sites to activate the inert N≡N bond is of paramount ...
Theory-guided construction of electron-deficient sites via removal of lattice oxygen for the boosted electrocatalytic synthesis of ammonianitrogen reductiondensity functional theoryoxygen vacancieselectron-deficient sitesRational design of catalytic sites to activate the inert N≡N bond is of paramount ...
Crystallographic shear in oxygen-deficient rutile: An electron microscope studyElectron microscopy, electron diffraction, and direct lattice imaging show that extended defects are important in substoichiometric TiO 2. Planar faults on {132} in near-stoichiometric TiO 2 are identified as shear planes, of...
The zero field splitting (ZFS) parameterDdepends on the crystallographicc/aratio of ZnO:Mn lattice constants as it measures the trigonal distortion of oxygen tetrahedra at the Zn2+site with respect to the Mn2+site. The ZFS parameterDcorrelates linearly with displacement of Mn2+ions along thec-...
XPS results show that under the EB irradiation, nitrogen ions have been doped into the TiO 2 lattice successfully, as well as part of Ti 4+ on the surface of the samples changed to Ti 3+ . Photocatalytic performance was tested by decomposing Rhodamine B in the aqueous phase under visible ...