(η5‐Pentamethylcyclopentadienyl)iridium Complex Catalyzed Imine Reductions Utilizing the Biomimetic 1,4‐NAD(P)H Cofactor and N‐Benzyl‐1,4‐dihydronicotinamide as the Hydride‐Transfer Agent
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DOI: 10.1002/cctc.201601307
Abstract: The interaction between synthetic organometallic complexes and metabolic cofactors has proven to be a newly emerging topic in bioorganometallic chemistry. Thus, the first cationic Cp*Ir‐catalyzed (Cp*=η5‐pentamethylcyclopentadienyl) imine reduction in neutral buffered aqueous medium was examined.… read more here.
Keywords: hydride; iridium complex; imine; hydride transfer ... See more keywords
A General Strategy for Open‐Flask Alkene Isomerization by Ruthenium Hydride Complexes with Non‐Redox Metal Salts
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DOI: 10.1002/cctc.201700687
Abstract: A homogenous metal hydride (M−H) catalyst for isomerization normally requires rigorous air‐free techniques. Here, we demonstrate a highly efficient protocol in which simple non‐redox metal ions as Lewis acids can promote olefin isomerization dramatically with… read more here.
Keywords: non redox; hydride; redox metal; open flask ... See more keywords
Multistep Reaction Pathway for CO2 Reduction on Hydride‐Capped Si Nanosheets
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DOI: 10.1002/cctc.201901105
Abstract: Silicon hydride, as a new efficient catalyst for CO2 conversion to CO, is receiving ever‐increasing attention. Thus, a precise catalytic mechanism is needed to provide a guideline for the design of new efficient catalysts based… read more here.
Keywords: hydride; multistep reaction; mechanism; co2 ... See more keywords
New Role of Pd Hydride as a Sensor of Surface Pd Distributions in Pd−Au Catalysts
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DOI: 10.1002/cctc.201901847
Abstract: Isolated or contiguous, the surface distributions of Pd atoms in the Pd−Au bimetallic nanoparticle (NP) catalysts often influence activity and selectivity towards specific reactions. In this study, we used a concomitant Pd hydride formation upon… read more here.
Keywords: hydride; bimetallic nps; surface distributions; new role ... See more keywords
Phase-field modeling of stacking structure formation and transition of δ-hydride precipitates in zirconium
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DOI: 10.1016/j.actamat.2018.12.009
Abstract: Abstract δ-hydride structures in Zr nuclear fuel-rod cladding significantly affect mechanical properties. A micromechanical phase-field model is developed to investigate the effect of interfacial energy anisotropy and elastic interaction on the nucleation, stacking structure formation,… read more here.
Keywords: structure formation; hydride; transition; stacking structure ... See more keywords
A microstructure-based modeling approach to predict the mechanical properties of Zr alloy with hydride precipitates
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DOI: 10.1016/j.commatsci.2021.110654
Abstract: Abstract In nuclear reactors, hydrides can form in fuel cladding due to hydrogen absorption in Zircaloy and cause embrittlement. This work presents a microstructure-based finite element model to predict the stress–strain response of Zircaloy containing… read more here.
Keywords: microstructure based; mechanical properties; zircaloy; based modeling ... See more keywords
Thermodynamics, kinetics and microstructural evolution of Ti0.43Zr0.07Cr0.25V0.25 alloy upon hydrogenation
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DOI: 10.1016/j.ijhydene.2017.02.184
Abstract: Abstract Zr substituted Ti 2 CrV alloy with Ti 0.43 Zr 0.07 Cr 0.25 V 0.25 composition was synthesized by arc melting method and its crystal structure, microstructure and hydrogen storage performance were investigated. XRD… read more here.
Keywords: hydride; alloy; kinetics microstructural; hydrogen ... See more keywords
SOC-dependent high-rate dischargeability of AB5-type metal hydride anode: Mechanism linking phase transition to electrochemical H-desorption kinetics
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DOI: 10.1016/j.ijhydene.2019.04.078
Abstract: Abstract The current application of nickel-metal hydride (Ni-MH) batteries places a particular emphasis on the high-rate dischargeability (HRD) at varying state-of-charges (SOCs). However, most research on the HRD of AB5-type MH anodes only considers the… read more here.
Keywords: hydride; desorption kinetics; anode; ab5 type ... See more keywords
Energy management of a thermally coupled fuel cell system and metal hydride tank
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DOI: 10.1016/j.ijhydene.2019.08.247
Abstract: Abstract Being produced from renewable energy, hydrogen is one of the most efficient energy carriers of the future. Using metal alloys, hydrogen can be stored and transported at a low cost, in a safe and… read more here.
Keywords: hydride; fuel cell; energy; hydride tank ... See more keywords
Substitution of nickel in Mg2Ni and its hydride with elements from groups XIII and XIV: An ab initio study
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DOI: 10.1016/j.ijhydene.2021.02.011
Abstract: Abstract We have performed ab initio calculations with equilibrium supercells of the Mg2Ni compound and its hydride Mg2NiH4 doped with elements X = Al, Ga, In, Si, Ge and Sn. Two concentrations of X in both structures… read more here.
Keywords: substitution nickel; mg2ni hydride; hydrogen; enthalpy ... See more keywords
Experimental and computational modelling study of Ni substitution for Fe in Zr3Fe and its hydride
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DOI: 10.1016/j.jallcom.2018.12.054
Abstract: Abstract Zr3Fe and Ni-substituted Zr3Fe alloys with 30 and 50 at.% Ni were synthesized and their hydrogen absorption/desorption characteristics were compared experimentally (pressure–composition isotherms, thermal desorption spectroscopy, in-situ neutron diffraction) and by computational methods (ab-initio molecular… read more here.
Keywords: desorption; hydrogen; spectroscopy; hydride ... See more keywords