نتایج جستجو برای: transition metal ion

تعداد نتایج: 619110  

Structural and electronic properties of double perovskites Sr2BWO6 (B = Co, Ni, Cu)  were studied  for each of three magnetic configurations nonmagnetic, ferromagnetic, and antiferromagnetic by using density functional theory in generalized gradient approximations (GGA) and strong correlation correction (GGA + U). Due to magnetic transition from antiferromagnetic to nonmagnetic phase, an electr...

Journal: :Philosophical transactions. Series A, Mathematical, physical, and engineering sciences 2012
Shawn E McGlynn Isik Kanik Michael J Russell

Hydrothermal chimneys and compartments comprising transition metal sulphides and associated minerals have been proposed as likely locations for the beginnings of life. In laboratory simulations of off-axis alkaline springs, it is shown that the interaction of a simulated alkaline sulphide-bearing submarine vent solution with a primeval anoxic iron-bearing ocean leads to the formation of chimney...

2014
Hao Hu Zhengfei Wang Feng Liu

Two-dimensional (2D) hexagonal organometallic framework (HOMF) made of triphenyl-metal molecules bridged by metal atoms has been recently shown to exhibit exotic electronic properties, such as half-metallic and topological insulating states. Here, using first-principles calculations, we investigate systematically the structural, electronic, and magnetic properties of such HOMFs containing 3d tr...

2017
Min-Quan Yang Yi-Jun Xu Wanheng Lu Kaiyang Zeng Hai Zhu Qing-Hua Xu Ghim Wei Ho

At present, the technological groundwork of atomically thin two-dimensional (2D) hetero-layered structures realized by successive thin film epitaxial growth is in principle constrained by lattice matching prerequisite as well as low yield and expensive production. Here, we artificially coordinate ultrathin 2D hetero-layered metal chalcogenides via a highly scalable self-surface charge exfoliati...

2006
Bronger

An extended Zinti principle is discussed for framework structures of ternary metal chalcogenides, pnictides and hydrides with tetrahedral and planar coordination of transition metal atoms. Their bonding can be characterized by the magnetic moments measured by susceptibilities and neutron diffraction. The experimental results are compared with crystal field splittings obtained by calculations ba...

Journal: :Physical chemistry chemical physics : PCCP 2018
Matthew G Quesne Alberto Roldan Nora H de Leeuw C Richard A Catlow

We present a comprehensive study of the bulk and surface properties of transition metal carbides with rock salt structures and discuss their formation energies and electronic structures. The bonding character of the materials is shown to be dependent on the periodic position of the transition metal as well as the surface termination, which in turn tunes the densities of states and electronic su...

Journal: :Journal of the American Chemical Society 2012
Jean-François Brazeau Suyan Zhang Ignacio Colomer Britton K Corkey F Dean Toste

The discovery of complementary methods for enantioselective transition metal-catalyzed cyclization with silyloxyenynes has been accomplished using chiral phosphine ligands. Under palladium catalysis, 1,6-silyloxyenynes bearing a terminal alkyne led to the desired five-membered ring with high enantioselectivities (up to 91% ee). As for reactions under cationic gold catalysis, 1,6- and 1,5-silylo...

Journal: :Inorganic chemistry 2009
Tori Z Forbes Slavi C Sevov

Seven compounds with framework structures made of divalent metal-imidazole (Im) complexes (M(II) = Co, Ni, and Mn) linked by 1,5-napthalenedisulfonate (1,5nds) were synthesized and structurally characterized. Five of these compounds, Mn(Im)(4)(1,5nds) (two forms), Co(Im)(4)(1,5nds) (two forms), and Ni(Im)(4)(1,5nds), contain direct sulfonate-metal coordination and represent the first such compo...

2018
Carine E. Chan-Thaw Alberto Villa

Transition metal carbides have been utilized as an alternative catalyst to expensive noble metals for the conversion of biomass. Tungsten and molybdenum carbides have been shown to be effective catalysts for hydrogenation, hydrodeoxygenation and isomerization reactions. The satisfactory activities of these metal carbides and their low costs, compared with noble metals, make them appealing alter...

Journal: :Georgia journal of science : official publication of the Georgia Academy of Science 2011
Zhiyan Song Adegboye O Adeyemo Jannie Baker Shakeya M Traylor Marcia L Lightfoot

Porphyrins are a group of tetrapyrrole pigments. Physical and chemical properties of porphyrins are often related to their compositions and structures. We conducted 1H solution NMR and UV-visible spectral analysis to characterize the structural feature of a water-soluble, synthetic porphyrin i.e. tetrakis (p-sulfonatophenyl) porphyrin, TPPS4, and its interaction with different metal ions in aqu...

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