This review addresses the method of explicit calculations of interatomic exchange
interactions of magnetic materials. This involves exchange mechanisms normally referred to …

Molybdenum disulfide (MoS2) has attracted extensive attention as a non-noble metal
electrocatalyst for hydrogen evolution reaction (HER). Controlling the skeleton structure at …

Foreign atom do** is known to not only modify the electronic structure but also improve
the intrinsic activity of catalysts. Herein, we fabricate three-dimensional (3D) self-supporting …

We present a method to calculate the effective exchange interaction parameters based on
the realistic electronic structure of correlated magnetic crystals in local approach with the …

A facile method has been developed to synthesize nanoporous manganese and nickel
oxides with polyhedron particle morphologies, high surface areas and narrow pore …

Abstract Local-spin-density-functional (LSDA) calculations may be affected by severe errors
when applied to the study of magnetic and strongly correlated materials. Some of these …

We report a simple and effective method for the generation of high-quality nanocrystals of
manganese oxide, MnO, with an alkyl cap** group. MnO is a model system for the …

Nanorods of anhydrous manganese oxalate were prepared by the reverse-micellar method
using CTAB as the surfactant. Manganese oxalate precursor was used to synthesize single …

Nonhydrolytic sol− gel processes in organic solvents have become very popular for the
synthesis of metal oxide NCs. We report an affordable, high-yield, shape-control synthesis of …

The ground state properties of MnO are investigated using the plane wave based projector
augmented wave technique and the so-called” parameter-free” hybrid functional approach …