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Searching two-dimensional (2D) half-metallic crystals that are feasible in experiment is
essential to develop next-generation nanospintronic devices. Here, a 2D exfoliated MnPSe3 …
essential to develop next-generation nanospintronic devices. Here, a 2D exfoliated MnPSe3 …
Quintuple function integration in two-dimensional Cr (II) five-membered heterocyclic metal organic frameworks via tuning ligand spin and lattice symmetry
Two-dimensional (2D) semiconductors (SCs) integrated with two or more functions are the
cornerstone for constructing multifunctional nanodevices but remain largely limited. Here, by …
cornerstone for constructing multifunctional nanodevices but remain largely limited. Here, by …
Covalency in Lanthanides. An X-ray Absorption Spectroscopy and Density Functional Theory Study of LnCl6x– (x = 3, 2)
Covalency in Ln–Cl bonds of O h-LnCl6 x–(x= 3 for Ln= CeIII, NdIII, SmIII, EuIII, GdIII; x= 2 for
Ln= CeIV) anions has been investigated, primarily using Cl K-edge X-ray absorption …
Ln= CeIV) anions has been investigated, primarily using Cl K-edge X-ray absorption …
Understanding structure-dependent catalytic performance of nickel selenides for electrochemical water oxidation
In this study, we systematically explore the connection between electrical conductivity and
catalytic activity of OER catalysts and disclose the association between the structure of non …
catalytic activity of OER catalysts and disclose the association between the structure of non …
[HTML][HTML] DFT+ U study of the structures and properties of the actinide dioxides
The actinide oxides play a vital role in the nuclear fuel cycle. For systems where current
experimental measurements are difficult, computational techniques provide a means of …
experimental measurements are difficult, computational techniques provide a means of …
Chemical bonding in americium oxides probed by X-ray spectroscopy
SM Butorin, DK Shuh - Scientific Reports, 2023 - nature.com
The electronic structure and the chemical state in Am binary oxides and Am-doped UO 2
were studied by means of X-ray absorption spectroscopy at shallow Am core (4 d and 5 d) …
were studied by means of X-ray absorption spectroscopy at shallow Am core (4 d and 5 d) …
Quantitative Evidence for Lanthanide-Oxygen Orbital Mixing in CeO2, PrO2, and TbO2
Understanding the nature of covalent (band-like) vs ionic (atomic-like) electrons in metal
oxides continues to be at the forefront of research in the physical sciences. In particular, the …
oxides continues to be at the forefront of research in the physical sciences. In particular, the …
Phonon spectrum, thermodynamic properties, and pressure-temperature phase diagram of uranium dioxide
We present a study of the structural phase transition and the mechanical and
thermodynamic properties of UO 2 by means of the local density approximation (LDA)+ U …
thermodynamic properties of UO 2 by means of the local density approximation (LDA)+ U …