The crystal of a nitride of a Group-13 metal on the periodic table according to the present invention contains oxygen atoms and hydrogen atoms and has a ratio of the oxygen concentration to the hydrogen concentration of 0.5 to 4.5.MIKAWA Yutaka...
Metal-ion batteries are key enablers in today’s transition from fossil fuels to renewable energy for a better planet with ingeniously designed materials being the technology driver. A central question remains how to wisely manipulate atoms to build attr
Within one group of the periodic table, 3d-atoms, in general, were found to adsorb more strongly than 4d-atoms, but weaker than 5d-atoms. In line with our previous studies of selected d-metal atoms adsorbed on oxides, the surface complexes considered did now show any indication of metal ...
Current research efforts on single-atom catalysts (SACs) exclusively focus on nonmetal or transition-metal atoms as active centers, while employing main-group metal elements is seemingly excluded because their delocalized s/p-bands are prone to yield a broadened resonance for the interaction with adso...
), number of oxygen atoms (N Oxygen ), the charge of the metal cation corresponding to a given oxide (χ ox ) and molecular weight (MW). Using only periodic table information and molecular formula, these seven descriptors are obtained in no time which is very time effective as well as相...
At high temperatures, alkali elements will be released in gas phase as alkali atoms, alkali chlorides, alkali hydroxides and alkali sulphates. In biomass/coal-fired boilers, the release of these alkali species can cause problems such as corrosion, slagging and fouling, threatening the safe ...
the atomic ratio of fluorine atoms to cobalt atoms (a/x) is from 0.0001 to 0.02, and in powder X-ray diffraction using CuKα-ray, the half value width of the angle of diffraction on (110) plane is from 0.06 to 0.13°, and the half value width of the angle of diffraction on (003...
Notably, the first peaks of the radial distribution functions (RDFs) for I‐Hw and Pb‐Ow (Hw/Ow representing H/O atoms in water) for the PbI2 nanosheet on the surface of water nanodroplets with a contact angle of 110° are higher compared to those with a contact angle of 70° (...
Electric fields could be configured at the atomic scale, thus providing a possibility to assemble smaller building blocks, such as atoms or atomic clusters, rather than particles that were several nanometers in size. This downscaling was supported by selecting sub-2-nm particles for the in situ ...
(211) plane, were built and fully relaxed. The positions of all atoms were completely relaxed until the energy between two consecutive steps is less than\({10}^{-5}\)eV, and the maximum force on each atom was 0.01 eV/Å. The periodic boundary conditions were applied along the x ...