Structural, Electronic, and Magnetic Properties of Bimetallic NimNbn(m + n ≤ 8) Clusters: First Principle Study
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Superconductivity and Novel Magnetism"
DOI: 10.1007/s10948-016-3710-0
Abstract: Structural, electronic, and magnetic properties of bimetallic NimNbn(m + n≤8) clusters have been investigated using the particle swarm optimization coupled with density functional theory. Ninety-seven stable structures of Ni mNb n clusters were found. Among… read more here.
Keywords: properties bimetallic; bimetallic nimnbn; structural electronic; magnetic properties ... See more keywords
Structural, electronic and catalytic properties of bimetallic Pt Ag (n=1–7) clusters
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2020.155897
Abstract: Abstract The geometrical, electronic and catalytic properties of PtnAgn (n = 1–7) clusters are investigated by means of density functional theory (DFT) computations. The ground state structures are obtained by a structure search procedure based in the… read more here.
Keywords: electronic catalytic; properties bimetallic; structural electronic; bimetallic clusters ... See more keywords
A Theoretical Study on the Structural, Electronic, and Magnetic Properties of Bimetallic Pt13−nNin (N = 0, 3, 6, 9, 13) Nanoclusters to Unveil the Catalytic Mechanisms for the Water-Gas Shift Reaction
Sign Up to like & getrecommendations! Published in 2022 at "Frontiers in Chemistry"
DOI: 10.3389/fchem.2022.852196
Abstract: In this work, first-principles calculations by using density functional theory at the GFN-xTB level, are performed to investigate the relative stability and structural, electronic, and magnetic properties of bimetallic Pt13−nNin (n = 0, 3, 6,… read more here.
Keywords: magnetic properties; bimetallic pt13; reaction; structural electronic ... See more keywords
Preparation and Properties of Bimetallic Chitosan Spherical Microgels
Sign Up to like & getrecommendations! Published in 2023 at "Polymers"
DOI: 10.3390/polym15061480
Abstract: The aim of this work was to prepare bimetallic chitosan microgels with high sphericity and investigate the influences of metal-ion type and content on the size, morphology, swelling, degradation and biological properties of microgels. Amino… read more here.
Keywords: preparation properties; spherical microgels; bimetallic chitosan; chitosan spherical ... See more keywords