نتایج جستجو برای: co fe
تعداد نتایج: 402078 فیلتر نتایج به سال:
Single atom catalysts (SACs) are highly desirable for the effort to maximize the efficiency of metal atom use. However, the synthesis of SACs is a major challenge that largely depends on finding an appropriate supporting substrate to achieve a well-defined and highly dispersed single atom. This work demonstrates that, based on the density functional theory (DFT) calculation, graphyne is a good ...
The autocatalytic growth of arbitrarily shaped nanostructures fabricated by electron beam-induced deposition (EBID) and electron beam-induced surface activation (EBISA) is studied for two precursors: iron pentacarbonyl, Fe(CO)5, and cobalt tricarbonyl nitrosyl, Co(CO)3NO. Different deposits are prepared on silicon nitride membranes and silicon wafers under ultrahigh vacuum conditions, and are s...
Nanowire is a cylindrical nano-structure with nanometer dimensions. In this research, the studied nanowire was made from the magnetic triple Ni-Fe-Co alloy. We utilized ordered porous anodic aluminum oxide as a template for the nanowire deposition. The nanowire arrays were electrodeposited in the cylindrical pores of the oxide layer by AC potential in a simple sulfate bath. Then the relation ...
We prove the hitherto hypothesized sequential dissociation of Fe(CO)5 in the gas phase upon photoexcitation at 266 nm via a singlet pathway with time-resolved valence and core-level photoelectron spectroscopy with an x-ray free-electron laser. Valence photoelectron spectra are used to identify free CO molecules and to determine the time constants of stepwise dissociation to Fe(CO)4 within the t...
4(4-nitrophenyl-zao)-2-(2-methoxy phenimino)-phenol and its coordination compounds with ni(ii), cu(ii), co(ii) and fe(iii) have been synthesized and characterized by elemental analyses, ft-ir, far-ir, near ir, uv-vis, mass spectrometry and molar conductivity and their electrochemical behaviours are reported.
توسعه روش های محاسباتی امکان مطالعه سیستم های مختلف با دقت کافی را فراهم ساخته است. در این پژوهش با استفاده از محاسبات تئوری تابع دانسیته dft، مکانیسم انعطاف پذیری لیگاندهای سیکلوپنتادی انیل وایندنیل درکمپلکس های (?5-c5h5)fe(co)2(?1-c5h5)(i)،(?5-c5h5)fe(co)2(?1-indenyl)(ii)و (?5-indenyl)fe(co)2(?1-indenyl) (iii) برای بررسی دقیق این مکانیسم به موارد ذیل پرداخته شد. 1) جابه جایی 5و1 در کمپلکس...
Using periodic slab density functional theory, we investigate CO adsorption, diffusion, and dissociation energetics on a monolayer of Al covering Fe(100) [Al/Fe(100)]. We predict a weakly chemisorbed state of CO to exist on Al/Fe(100), with CO adsorbing on the 4-fold hollow site in a very tilted fashion. This state is predicted to have an extremely low CO stretching frequency of only 883 cm(-1)...
In order to obtain suitable precursors for iron complexes that model the reactivity of the active sites of nitrogenases, the coordination chemistry of the [Fe('N2H2S2')] fragment was systematically investigated ('N2H2S2' 2 = 1,2-ethanediamine-N,N'-bis(2-benzenethiolate)(2-)). One-pot reactions of FeCl2 4H2O with the tetradentate amine-thiolate ligand 'N2H2S2' 2 and CO, PR3, or P(OR)3 yielded th...
We utilized femtosecond time-resolved resonant inelastic X-ray scattering and ab initio theory to study the transient electronic structure and the photoinduced molecular dynamics of a model metal carbonyl photocatalyst Fe(CO)5 in ethanol solution. We propose mechanistic explanation for the parallel ultrafast intra-molecular spin crossover and ligation of the Fe(CO)4 which are observed following...
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