By mapping out potential energy surfaces from density-functional theory (DFT) and solving a protonic Schrödinger equation, we find that the H atom in a unit cell of the Li2NH crystal shows remarkably strong quantum behavior, leading to the delocalization of H over six octahedral sites around each N. This can be rationalized in terms of rapid coherent tunneling among these equivalent octahedral ...

Introduction Atomic Structures and Properties Electronic configurations Radii of atoms and ions Ionisation enthalpies Oxidation states Compound formation in maximum oxidation states Stability of compounds in aqueous solution Magnetic properties Coloured ion formation Alloy formation Interstitial compound formation Coordination Compounds Types of ligands Homleptic and heteroleptic complexes Coor...

Abstract: Prediction criterions for the formabilities of perovskite-type oxides are obtained by using the empirical structure map methods constructed by two parameters octahedral factor (rB/rO) and tolerance factor, on this structure map, simple point representing systems of forming and non forming are distributed in distinctively different regions. In this paper we found that the octahedral fa...

Hollow polyhedral graphite particles with 200~400 nm in diameter have been synthesized by heating oxalic acid, ferrocene and metallic magnesium at 580 °C, typically forming diamond-like octahedral structure. Combined with SEM, TEM, SAED patterns, and Raman spectroscopy, it was shown that the surface of graphite polyhedrons is composed of approximately 30-40 graphene shells; the fouror sixfold s...

A hexagonal oxynitride (Li(0.88)□(0.12))Nb(3.0)(O(0.13)N(0.87))(4) was synthesized through ammonia nitridation of LiNb(3)O(8). The structural analysis revealed that this oxynitride consists of alternate stacking of octahedral and prismatic layers with different Li/Nb ratios: significant amounts of Li and Nb atoms (Li/Nb = 43/57) coexist in the octahedral layer, while the prismatic site is prefe...

Herein, we report a one-step synthesis method for octahedral Pt-Ni-Co ternary catalysts with tunable compositions and fixed shapes. Impressively, the composition optimized octahedral PtNi0.55Co0.1/C demonstrated a significant improvement in ORR activity compared to those of previously reported Pt-Ni-Co alloy octahedra, showing an outstanding specific activity of 5.05 mA cm-2 and a mass activity...

A new octahedral ZnO/ZnFe2O4 heterostructure has been fabricated through a facile surfactant-free solvothermal method followed by thermal treatment. It exhibits a record-high adsorption capacity (up to 4983.0 mg·g(-1)) of malachite green (MG), which is a potentially harmful dye in prevalence and should be removed from wastewater and other aqueous solutions before discharging into the environmen...

We calculate the neutron incoherent scattering law due to a particle performing localized di!usional jumps in a con"ned environment of octahedral symmetry. An experimental realization for this model is provided by the fulleride Li 12 C 60 , where the Li ions di!use within the octahedral void determined by the surrounding C 60 spheres packed in a face centered cubic crystal structure. The result...