Search results for " manganese"
showing 10 items of 17 documents
Evidence for Increased neutron and proton excitations between 51−63 Mn
2015
The hyperfine structures of the odd-even 51−63Mnatoms (N=26 −38) were measured using bunched beam collinear laser spectroscopy at ISOLDE, CERN. The extracted spins and magnetic dipole moments have been compared to large-scale shell-model calculations using different model spaces and effective interactions. In the case of 61,63Mn, the results show the increasing importance of neutron excitations across the N=40subshell closure, and of proton excitations across the Z=28shell gap. These measurements provide the first direct proof that proton and neutron excitations across shell gaps are playing an important role in the ground state wave functions of the neutron-rich Mn isotopes. publisher: Els…
Structure and the metal-support interaction of the Au/Mn oxide catalysts
2010
Gold catalysts with loading 1 and 10 wt % were-prepared by deposition precipitation method with urea over mesoporous manganese oxide, obtained through a surfactant-assisted procedure by using cetyltrimethylammonium bromide (CTAB), followed by treatment with sulphuric acid. For comparison, Au(10 wt %) was also deposited over commercial CeO2 and SiO2 supports. The materials were characterized by XRD and EXAFS at the Mn K and Au L-III edges and XPS. Moreover, the analyses were performed on the samples treated under 1%CO/He, at 250 degrees C for 90 min. The structural and surface results of the as prepared manganese oxide confirmed the formation of gamma-MnO2 along with some amorphous Mn3O4 upo…
DFT and kinetic evidences of the preferential CO oxidation pattern of manganese dioxide catalysts in hydrogen stream (PROX)
2022
Abstract The oxidation functionality of Mn(IV) sites has been assessed by density functional theory (DFT) analysis of adsorption and activation energies of CO, H2 and O2 on a model Mn4O8 cluster. DFT calculations indicate that Mn(IV) atoms prompt an easy CO conversion to CO2 via a reaction path involving both catalyst and gas-phase oxygen species, while much greater energy barriers hinder H2 oxidation. Accordingly, a MnCeOx catalyst (Mnat/Ceat, 5) with large exposure of Mn(IV) sites shows a remarkable CO oxidation performance at T ≥ 293 K and no H2 oxidation activity below 393 K. Empiric kinetics disclose that the catalyst-oxygen abstraction step determines both CO and H2 oxidation rate, al…
Alkane oxidation by a carboxylate-bridged dimanganese(III) complex
2001
[EN] A new manganese( III) oxamato dimer possesing an unprecedented Mn-2(mu -O2CR)(mu -OH2. . .O2CR) core has been synthesised, structurally and magnetically characterised, and used as a catalyst for the oxidation of alkanes to alcohols and ketones by (BuO2H)-O-t and O-2 in CH2Cl2 at rt.
Electronic and Magnetic Study of Polycationic Mn-12 Single-Molecule Magnets with a Ground Spin State S=11
2010
International audience; The preparation, magnetic characterization, and X-ray structures of two polycationic Mn-12 single-molecule magnets (Mn12O12(bet)(16)(EtOH)(4)](PF6)(14)center dot 4CH(3)CN center dot H2O (1) and [Mn12O12(bet)(16)(EtOH)(3)(H2O)](PF6)(13)(OH)center dot 6CH(3)CN center dot EtOH center dot H2O (2) (bet = betaine = (CH3)(3)N+-CH2-CO2-) are reported. 1 crystallizes in the centrosymmetric P2/cspace group and presents a (0:2:0:2) arrangement of the EtOH molecules in its structure. 2 crystallizes in the noncentrosymmetric P (4) over bar space group with two distinct Mn-12 polycations, [Mn12O12(bet)(16)(EtOH)(2)(H2O)(2)](14+) (2A) and [Mn12O12(bet)(16)(EtOH)(4)](14+)(2B) per un…
Density functional theory based screening of ternary alkali-transition metal borohydrides: a computational material design project.
2009
We present a computational screening study of ternary metal borohydrides for reversible hydrogen storage based on density functional theory. We investigate the stability and decomposition of alloys containing 1 alkali metal atom, Li, Na, or K M1; and 1 alkali, alkaline earth or 3d / 4d transition metal atom M2 plus two to five BH4 groups, i.e., M1M2BH42‐5, using a number of model structures with trigonal, tetrahedral, octahedral, and free coordination of the metal borohydride complexes. Of the over 700 investigated structures, about 20 were predicted to form potentially stable alloys with promising decomposition energies. The M1Al/ Mn/ FeBH44, Li/ NaZnBH43, and Na/ KNi/ CoBH43 alloys are …
Manganese: A New Emerging Contaminant in the Environment
2012
The environment is composed of the atmosphere, earth and water. According to the World Health Organization, more than 100,000 chemicals are released into the global ambient every year as a consequence of their production, use and disposal. The fate of a chemical substance depends on its chemical application and physical-chemical properties, in combination with the characteristics of the environment where it is released. Chemical substances or contaminants discharged into the environment may be “natural” or “manmade”. One of the most misunderstood concepts regarding contamination is the missinterpretation of term “natural”. A “natural” contaminant is one substance that can occur without huma…
Design, assembly and characterization of silicide-based thermoelectric modules
2016
ID: 1143 In: Energy conversion and management, 13-21. Summary: Highlights•Novel silicide-based thermoelectric modules were experimentally investigated.•The modules produced high power of 1.04 W at 405 °C and 3.24 W at 735 °C.•An estimated module efficiency of 5.3% represent the highest reported for silicide systems.AbstractSilicides have attracted considerable attention for use in thermoelectric generators due mainly to low cost, low toxicity and light weight, in contrast to conventional materials such as bismuth and lead telluride. Most reported work has focused on optimizing the materials properties while little has been done on module testing. In this work we have designed and tested mod…