Here we determine the 3D atomic positions of M/HEA nanoparticles using atomic electron tomography36 and quantitatively characterize the local lattice distortion, strain tensor, twin boundaries, dislocation cores and chemical short-range order (CSRO). We find that the high-entropy alloys have larger ...
Spectroscopy of hard X-rays generated by focusing a femtosecond laser (42 fs at 780 nm) onto metal targets consisting elements of various atomic number (Z)... Y Fujimoto,Y Hironaka,KG Nakamura,... - 《Japanese Journal of Applied Physics》 被引量: 35发表: 1999年 Quantitative Determination ...
The SMARTS language provides several primitive symbols describing atomic and bond properties beyond those used in SMILES (atomic symbol, charge, and isotopic specifications). Table2lists the atomic and bond primitives used in SMARTS [39]. Table 2 SMARTS atomic and bond primitives Full size table A...
Uranium is the ninety-second element of the periodic system. The atomic ground state is designated 5L 0 6 in spectroscopic notation and has a 1s 2 2s 2 2p
The general format for an isotope using this tool is , where X is an elemental symbol, A is the mass number, and Z is the atomic number. The Isotope tool can be used in much the same way as the Superscript and Subscript tools. The problem below asks us to complete the given ...
When molecular transitions strongly couple to photon modes, they form hybrid light-matter modes called polaritons. Collective vibrational strong coupling is a promising avenue for control of chemistry, but this can be deterred by the large number of quas
Going beyond the effective minimal atomic basis approximation, which will improve the reproducibilty of wave function Using the varying RAOs that depend on each specific Lewis structures and allowing to use multiple RAOs for one atom, which will make the method able to deal with systems like SO...
The characterization results proved its high specific surface area (132 m2/g), large ratio of surface oxygen vacancies (42%) and p-n heterojunction. This gas sensing material performed exceptionally to CO detection with the high response value (Rg/Ra=35.4 at 50 ppm CO) and excellent anti-...
The technology adopts the Gibbs energy descriptor [Gδ(T)], which only needs information about the composition, enthalpy of formation and atomic density of the material. The descriptor can be used to predict the Gibbs free energy that reacts with CH4, thus obtaining the corresponding conversion....
The (A) maximum atomic number in each structure, max(Z), and (B) PBE-D3(BJ) band gaps for the corresponding DFT-optimized structures, Eg,DFT, are overlaid on the UMAPs. Highlighting notable low band gap MOFs We conclude by highlighting several framework materials identified in this work...