Search results for "Diamagnetism"

A review on LiNixCo1−2xMnxO2 (0.1 ≤ x ≤ 0.33) cathode materials for rechargeable Li-ion batteries

2021

Abstract Electrochemical and physical properties of LiNixCo1−2xMnxO2 (0.1 ≤ x ≤ 0.33) electrode materials prepared by self-combustion were investigated. Pure LiNixCo1−2xMnxO2 (x = 0.1, 0.2, 0.33) materials with single phase and R-3 m layered structure were obtained as confirmed by X-ray diffraction. Energy Dispersive Spectroscopy, Scanning Electron Microscopy are commonly used to determine the chemical composition and the distribution of particle size of the three samples. The electrochemical performances of the samples were measured at different current rates in the 3–4.5 V potential range. The studied materials exhibit good discharge capacity. The magnetic susceptibility measurements and …

Magnetic properties of exciton trapped by an off-center ionized donor in single quantum dot

2021

Abstract It is known that the lines of exciton (X) and exciton trapped by an ionized donor ( D + , X ) are often very close which makes very difficult their experimental identification. In order to facilitate their distinction in spherical quantum dots, we investigate the effect of an applied magnetic field studying the binding energy of the complex ( D + , X ) as function of dot size and the ionized donor position. Our calculation is using a variational approach taking into account the interactions between all charge carriers. Our results show that the complex is more sensitive to the magnetic field than the exciton and that the energy of the exciton is not sufficiently affected when the i…

2015

The energy barrier to magnetisation relaxation in single-molecule magnets (SMMs) proffers potential technological applications in high-density information storage and quantum computation. Leading candidates amongst complexes of 3d metals ions are the hexametallic family of complexes of formula [Mn6O2(R-sao)6(X)2(solvent)y] (saoH2=salicylaldoxime; X=mono-anion; y=4–6; R=H, Me, Et, and Ph). The recent synthesis of cationic [Mn6][ClO4]2 family members, in which the coordinating X ions were replaced with non-coordinating anions, opened the gateway to constructing families of novel [Mn6] salts in which the identity and nature of the charge balancing anions could be employed to alter the physical…

NIR-absorbing transition metal complexes with redox-active ligands

2020

Bench top stable transition metal (M = Co, Ni, Cu) complexes with a non-innocent ortho-aminophenol derivative were synthesized by the reaction of metal(II)acetates with a ligand precursor in 2:1 ratio. The solid-state structures reveal the formation of neutral molecular complexes with square planar coordination geometries. The Co(II) and Cu(II) complexes are paramagnetic, whereas the Ni complex is a diamagnetic square planar low-spin Ni(II) complex. All complexes, and Ni(II) complex in particular, show strong absorption in the near-IR region. Peer reviewed

Pressure-induced magnetic switching and linkage isomerism in K0.4Fe4[Cr(CN)6]2.8 x 16 H2O: X-ray absorption and magnetic circular dichroism studies.

2008

The effect of applied pressure on the magnetic properties of the Prussian blue analogue K0.4Fe4[Cr(CN)6]2.8 x 16 H2O (1) has been analyzed by dc and ac magnetic susceptibility measurements. Under ambient conditions, 1 orders ferromagnetically at a critical temperature (T(C)) of 18.5 K. Under application of pressure in the 0-1200 MPa range, the magnetization of the material decreases and its critical temperature shifts to lower temperatures, reaching T(C) = 7.5 K at 1200 MPa. Pressure-dependent Raman and Mossbauer spectroscopy measurements show that this striking behavior is due to the isomerization of some Cr(III)-C[triple bond]N-Fe(II) linkages to the Cr(III)-N[triple bond]C-Fe(II) form. A…

Electron delocalization in mixed-valence Keggin polyoxometalates. Ab initio calculation of the local effective transfer integrals and its consequence…

2002

We present a quantitative evaluation of the influence of the electron transfer on the magnetic properties of mixed-valence polyoxometalates reduced by two electrons. For that purpose, we extract from valence-spectroscopy ab initio calculations on embedded fragments the value of the transfer integrals between W nearest-neighbor atoms in a mixed-valence alphaPW(12)O(40) polyoxowolframate Keggin anion. In contradiction with what is usually assumed, we show that the electron transfer between edge-sharing and corner-sharing WO(6) octahedra have very close values. Considering fragments of various ranges, we analyze the accuracy of calculations on fragments based on only two WO(5) pyramids which s…

Neutron diffraction studies of structural and magnetic properties of niobium doped cobaltites.

2009

Neutron powder diffraction studies of the structural and magnetic properties of the La(1-x)Sr(x)Nb(y)Co(1-y)O(3) solid solutions (x = 0.2, 0.5; y = 0, 0.075, 0.1) have been performed. Substitution of Co(2+) by Nb(5+) prevents the formation of Co(4+) and leads to stabilization of the Co(3+) ions in the high- or intermediate-spin state. This is accompanied by the significant change of the Co-O bond length as well as Co-O-Co bond angle in the CoO(6) octahedron. The obtained data are in agreement with the negative sign of the magnetic exchange interactions Co(3+)-O-Co(3+) in a relatively wide range of the Co-O-Co bond angles. Diamagnetic dilution by the niobium ions prevents long-range magnetic…

Orbital Decomposition of the Carbon Chemical Shielding Tensor in Gold(I) N-Heterocyclic Carbene Complexes.

2020

The good performance of N‐heterocyclic carbenes (NHCs), in terms of versatility and selectivity, has called the attention of experimentalists and theoreticians attempting to understand their electronic properties. Analyses of the Au(I)–C bond in [(NHC)AuL]+/0 (L stands for a neutral or negatively charged ligand), through the Dewar–Chatt–Duncanson model and the charge displacement function, have revealed that NHC is not purely a σ‐donor but may have a significant π‐acceptor character. It turns out, however, that only the σ‐donation bonding component strongly correlates with one specific component of the chemical shielding tensor. Here, in extension to earlier works, a current density analysi…

Experimental evidence of E’_gamma centers generation from oxygen vacancies in a-SiO2

2007

Abstract We report on the thermal treatment effects in a γ-ray irradiated oxygen deficient amorphous silicon dioxide (a-SiO2) containing Al impurities. We observed that by thermal treatments the intensity of the 7.6 eV optical absorption band, associated to an oxygen deficient center, and the EPR signal amplitude of irradiation induced [AlO4]0 centers gradually decrease. During these thermal treatments, the E γ ′ centers concentration is found to increase in a correlated way to the decrease of the 7.6 eV absorption amplitude. These results are interpreted assuming an hole-transfer process from the [AlO4]0 centers to the diamagnetic oxygen vacancies, resulting in the generation of E γ ′ cent…

Relatively strong intramolecular antiferromagnetic coupling in a neutral Cr(III)2Nb(V)2 heterobimetallic molecular square.

2015

A relatively large antiferromagnetic interaction between the two chromium(III) ions from the molecular square [{Cr(dmso)4}2{Nb(μ-O)2(C2O4)2}2] () (J = -12.0 cm(-1)) is mediated by the diamagnetic oxo-Nb(V)-oxo pathway, its nature and magnitude being substantiated by DFT type theoretical calculations.