A strategy for simulating Electron Energy-Loss Near-Edge Structures of nanoparticles: application to size effects in Gd₂O₃

Evidence for 5d-σ and 5d-π covalency in lanthanide sesquioxides from oxygen K-edge X-ray absorption spectroscopy

“…Because the radial extension of the 4f orbitals is small, increases in 4f orbital covalency have primarily been achieved by minimizing the energy separation (degeneracy driven covalency). 127,138,139 Within the limits of this model, changes in the intensity of the O K-edge can be rationalized using eqn (1) in the following manner: Fig. 9 shows how the spectra can be partitioned into several groups with distinct behavior, and correlates well with expectations from the physical and theoretical studies described above.…”

“…2) is comparable to the results of earlier EELS studies on Gd 2 O 3 nanoparticles. [137][138][139] The STXM data differ in that the high resolving power of the CLS SM beamline (ca. 0.1 eV at the O K-edge) reveals the fine structure that was not observed with EELS.…”

Structural Properties and ELNES of Polycrystalline and Nanoporous Mg3N2

“…One major reason for differences in physical properties between bulk and nanostructured compounds is due to the proportion of surface-to-volume atoms. For small crystallites, the atomic environment, i.e., the coordination, is more anisotropic compared to bulk crystals because atoms close to surface have fewer neighbors than atoms in the center of the nanoparticle (Épicier et al, 2011). In addition to the effects on coordination, bond length changes and lattice distortions due to contributions of the surface energy have been frequently observed for various nanoparticles (Mays et al, 1968; Weissmüller, 2002; Oehl et al, 2015).…”