The experimental results obtained by 0953-8984/9/7/023/img10 conversion electron M枚ssbauer spectroscopy on the electronic configuration of Fe in 0953-8984/9/7/023/img11 are discussed in the light of ab initio full-potential linear muffin-tin orbital calculations of the isomer shift 0953-8984...
Single-atom centers appear to exist in the dsconfiguration. The d-electron count increases with cluster size, and in the case of Pt a correlation between d-orbital occupation and catalytic activity in electroless nickel deposition is observed....
The deficiency of oxygen in the LiCoO 2δ reduced oxides gives rise to the formation of divalent cobalt ions. The deficiency of the alkali metal in Na x CoO 2 initiates the formation of holes in the oxygen 2 p band while not changing the electronic configuration d 6 of the cobalt-ion ...
DMC/LiPF6 adsorption from the liquid phase on the Li(NiCo)O2 surface leads to formation of the interface SEI layer consisting of LixOy, Li2CO3 and LiPF6. As the concentration of LiPF6 in DMC increases, it results in the oxidation of Co ions and changes of the electronic configuration near ...
Additionally, complementary studies including open circuit voltage and IS measurements were performed in the Li|(Co,Cu,Mg,Ni,Zn)0.7Li0.3O|LiCoO2 configuration using Swagelok-type cell. The same electrochemical meters (Solartron SI 1287 and Solartron 1260) were utilized in these experiments. 3. Resu...
On the basis of these spectroscopic and theoretical analyses, 1 is best described as containing an intermediate spin Fe(II) ion, whereas for the corresponding cobalt complex, oxidation states describing a d6 (CoIII) or d7 (CoII) electron configuration cannot be unambiguously assigned. The ...
Check the electronic configuration of the given: The electron configuration of Co is [Ar]4s23d7. Write the electron configuration for Se^{3+}. Determine the atom based on the electron configuration 1s^2 2s^2 2p^4 3s^1. Determine the atom based on the electron confi...
The system’s finite element analysis reveals improved performance in lowering maximum temperatures, especially in an open medium configuration. The potential of PCM-based hybrid systems to improve battery performance and guarantee thermal stability under demanding circumstances is demonstrated by this work....
It was found that the MnGasubstitution is the most stable configuration with a formation energy of 1.60eV/Mn-atom. The calculated density of states shows that the half-metallic ferromagnetism is energetically stable for all dopant concentrations with a total magnetization of about 4.0μB/Mn-atom....
et al. Comprehensive investigation of crystallographic, spin-electronic and magnetic structure of (Co0.2Cr0.2Fe0.2Mn0.2Ni0.2)3O4: unraveling the suppression of configuration entropy in high entropy oxides. Acta Mater. 226, 117581 (2022). Article CAS Google Scholar Jimenez-Segura, M. P. et al...