C&EN

DFT Inquest on a 3d Transition Metal-Adsorbed Porphyrin Sheet for Spintronic and Optoelectronic Applications

Using density functional theory (DFT), the structural, electronic, magnetic, and optical properties of 3d transition metals (TMs) adsorbed on a porphyrin sheet (PS) made up of a 2-D covalent organic ...
PNAS

Atomic ionization: sd energy imbalance and Perdew–Zunger self-interaction correction energy penalty in 3d atoms

Contributed by John P. Perdew; received September 12, 2024; accepted January 23, 2025; reviewed by Filipp Furche, Robert O. Jones, and Hannes Jonsson Organometallic transition-metal complexes and ...
Scientific Research Publishing

Y. Ohishi, S. Mitachi, T. Kanamori and T. Manabe, “Op- tical Absorption of 3d Transition Metal and Rare Earth Elements in Zirconium Fluoride Glasses,” Physics and Chemistry ...

ABSTRACT: Mixed alkali and alkaline earth oxide glasses of RO-Li2O-Na2O-K2O-B2O3(R = Zn, Mg, Sr and Ba) system were studied by electron paramagnetic resonance (EPR) and optical absorption spectroscopy ...
Scientific Research Publishing

Ohishi, Y., Mitachi, S., Kanamori, T. and Manabe, T. (1983) Optical Absorption of 3d Transition Metal and Rare Earth Elements in Zirconium Fluoride Glasses. Physics and ...

ABSTRACT: This paper reports on different physical and optical properties of Nd3+-doped bismuth borate glasses. The glasses containing Nd3+ in (25 - x)Bi2O3:20Li2O:20ZnO:35B2O3:xNd2O3 (where x = 1, ...