Search results for "Molybdenum"

Interaction of half-sandwich alkylmolybdenum(III) complexes with B(C6F5)3. The X-ray structure of [CpMo(η4-C4H6)(μ-Cl)(μ-CH2)(O)MoCp][CH3B(C6F5)3]

2001

Abstract The reactions of the half-sandwich molybdenum(III) complexes CpMo(η 4 -C 4 H 4 R 2 )(CH 3 ) 2 , where Cpη 5 -C 5 H 5 and RH or CH 3 , with equimolar amounts of B(C 6 F 5 ) 3 have been investigated in toluene. EPR monitoring shows the formation of an addition product which does not readily react with Lewis bases such as ethylene, pyridine, or PMe 3 . The analysis of the EPR properties and the X-ray structure of a decomposition product obtained from dichloromethane, [CpMo(η 4 -C 4 H 6 )(μ-Cl)(μ-CH 2 )(O)MoCp][CH 3 B(C 6 F 5 ) 3 ], indicate that the borane attack has occurred at the methyl position.

Interaction of Mo(CO) 6 and its derivative fragments with the Cu(001) surface: Influence on the decomposition process

2014

A theoretical study on the adsorption and decomposition of molybdenum carbonyl on the copper (001) surface is reported. The adsorption structures and energies of Mo(CO)n molecules (n = 1 … 6) are computed systematically using density functional theory with Van der Waals corrections. By analyzing the energies of the various conformations, the main factors that determine the stable adsorption geometry are identified. Insight into the thermodynamics of decomposition is gained by calculating the reaction energy for dissociation of Mo(CO)n into Mo(CO)n−1 and CO. In the gas phase, this reaction is highly endothermic for all n. On the Cu surface, however, removal of the first CO group (n = 6) beco…

Combustion synthesis of MoSi2 and MoSi2–Mo5Si3 composites: Multilayer modeling and control of the microstructure

2010

International audience; In this work, we present a multilayer modeling for the formation of molybdenum silicides in the exothermic reaction between Mo and Si under the influence of a temperature pulse. The heating rate can either be a well-controlled ramp or be generated spontaneously by the propagation of a combustion synthesis front. The model addresses the specific situation above the melting point of silicon and describes the solid–liquid reaction taking place in a single representative particle of molybdenum surrounded by the melt of silicon. We obtain a set of kinetic equations for the propagation of the interfaces between the different layers (Mo/Mo5Si3 and Mo5Si3/MoSi2) in the solid…

Efficient Vacuum Deposited P-I-N Perovskite Solar Cells by Front Contact Optimization.

2020

Hole transport layers HTLs are of fundamental importance in perovskite solar cells PSCs , as they must ensure an efficient and selective hole extraction, and ohmic charge transfer to the corresponding electrodes. In p i n solar cells, the ITO HTL is usually not ohmic, and an additional interlayer such as MoO3 is usually placed in between the two materials by vacuum sublimation. In this work, we evaluated the properties of the MoO3 TaTm TaTm is the HTL N4,N4,N4 amp; 8243;,N4 amp; 8243; tetra [1,1 amp; 8242; biphenyl] 4 yl [1,1 amp; 8242; 4 amp; 8242;,1 amp; 8243; terphenyl] 4,4 amp; 8243; diamine hole extraction interface by selectively annealing either MoO3 prior to the deposition of TaTm o…

Overcoming the Insolubility of Molybdenum Disulfide Nanoparticles through a High Degree of Sidewall Functionalization Using Polymeric Chelating Ligan…

2006

Investigations on isomerization and rearrangement of polycyclic arenes under oxidative conditions – Anodic versus reagent-mediated reactions

2019

Abstract Electro-organic conversions at an active molybdenum anode enable the formation of fused arenes. High chemoselectivity was achieved under anodic conditions, and a reagent-induced selectivity was observed by comparison with results of MoCl5-mediated reactions. Polycyclic arenes like phenanthrenes, triphenylenes, chrysenes, or helicenes were selectively obtained in yields up to 87% and in some cases unusual rearrangements were crucial for the product formation.

Erratum to: Sub-gap defect density characterization of molybdenum oxide: An annealing study for solar cell applications

2022

Dynamics of molybdenum nano structure formation on the TiO2(110) surface: A kinetic Monte Carlo approach

2006

Abstract The rutile TiO 2 (1 1 0) surface is a highly anisotropic surface exhibiting “channels” delimited by oxygen rows. In previous experimental and theoretical DFT works we could identify the molybdenum adsorption sites. They are located inside the channels. Moreover, experimental studies have shown that during subsequent annealing after deposition, special molybdenum nano structures can be formed, especially two monolayer high pyramidal chains of atoms. In order to better understand the dynamics of nano structure formation, we present a kinetic Monte Carlo study on diffusion and adsorption of molybdenum atoms on a TiO 2 (1 1 0) surface. A quasi one-dimensional lattice gas model has been…

Mo(CO)6 dissociation on Cu(111) stimulated by a Scanning Tunneling Microscope

2013

Abstract The surface of Cu(111) was exposed to molybdenum hexacarbonyl Mo(CO)6 with monolayer coverage at temperature 160 K and studied by a Scanning Tunneling Microscope. The monolayer structure has a hexagonal arrangement and forms a (√7 × √7) R19 superlattice on the copper (111) plane. Upon repeated scanning the monolayer is transformed into a (1 × 2) superstructure with 3-fold oriented domains. The domains of (1 × 2) superstructure can change orientation under scanning according to 3-fold surface symmetry. From analysis of the domain mobility, it follows that CO groups of carbonyl fragments are organized in the (1 × 2) superstructure conditioning the domain reorientation. The observed s…

Comparison of effects on crustaceans: carbon nanoparticles and molybdenum compounds nanowires

2013

Carbon nanomaterials (CNM) and molybdenum compound nanostructures are materials with various applications yet little is known regarding the toxicity of these nanoparticles in pristine form in aquatic environment. Daphnia magna standard acute toxicity test (EN ISO 6341:1996; freshwater) and Artemia salina standard acute toxicity test (ArtoxKit standard method; 15 ppt saltwater) were applied to assess the toxicity of non-modified CNM and molybdenum compound nanowires in water. It has been observed that CNM are more toxic in freshwater suspensions and somewhat more toxic than the tested molybdenum compound nanowires.