N-Heterocyclic carbene transition metal complexes in light emitting devices
Keywords: فلزات انتقالی; Transition metal; NHC; Photoluminescence; LEC; OLED;
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Nonlinear optical, IR and orbital properties of Ni doped MgO nanoclusters: A DFT investigation
Keywords: فلزات انتقالی; MgO; Nanocluster; Nonlinear optical; Transition Metal; Metal decoration;
Metal-catalyzed CH activation for polymer synthesis and functionalization
Keywords: فلزات انتقالی; CH activation; Polymer synthesis; Transition metal; Catalysis;
Transition metal(II) complexes of histidine-containing tripeptides: Structures, and infrared spectroscopy by IRMPD
Keywords: فلزات انتقالی; Metal-ligand binding; Coordination complex; Transition metal; Histidine; IRMPD spectroscopy; Charge solvation;
Selective hydrogenation of furfural over Pt based and Pd based bimetallic catalysts supported on modified multiwalled carbon nanotubes (MWNT)
Keywords: فلزات انتقالی; Furfural hydrogenation; Bimetallic catalyst; Transition metal; Multiwalled carbon nanotubes;
A DFT investigation on group 8B transition metal-doped silicon carbide nanotubes for hydrogen storage application
Keywords: فلزات انتقالی; DFT; Hydrogen adsorption; Silicon carbide nanotube; Transition metal;
Theoretical investigation of the structural, optical and magnetic properties of Mn doped and (Mn, Cr) co-doped CdS in its cubic structure
Keywords: فلزات انتقالی; DFT; DMS; Transition metal; Semiconductor; Optoelectronics; Half-metallic; CdS;
An overview of double perovskites A2Bâ²Bâ³O6 with small ions at A site: Synthesis, structure and magnetic properties
Keywords: فلزات انتقالی; Layered oxide; High pressure and temperature; Crystal structure; Transition metal; Magnetic structure; Magnetic properties;
Significant improvement in visible light photocatalytic activity of Fe doped TiO2 using an acid treatment process
Keywords: فلزات انتقالی; Fe doping; Transition metal; TiO2 photocatalyst; Visible light; Acid treatment;
Efficient degradation of H2S over transition metal modified TiO2 under VUV irradiation: Performance and mechanism
Keywords: فلزات انتقالی; H2S; TiO2; Transition metal; VUV-PCO; Degradation mechanism;
Sol-gel synthesis, characterization, and supercapacitor applications of MCo2O4 (M = Ni, Mn, Cu, Zn) cobaltite spinels
Keywords: فلزات انتقالی; Cobaltite spinels; Transition metal; Sol-gel synthesis; Supercapacitor properties;
Recent theoretical progress in the organic/metal-organic sensitizers as the free dyes, dye/TiO2 and dye/electrolyte systems; Structural modifications and solvent effects on their performance
Keywords: فلزات انتقالی; DSSC; dye-sensitized solar cells; LUMO; lowest unoccupied molecular orbital; HOMO; highest occupied molecular orbital; FF; fill factor; VOC; open circuit voltage; JSC; short-circuit photocurrent density; ÎGinj; free energy change of electron injection; Î
A structural survey of the binary transition metal phosphides and arsenides of the d-block elements
Keywords: فلزات انتقالی; M; transition metal; E; main group elements (in this review, phosphorus or arsenic); Oh; octahedron; TP; trigonal prism; mTP; monocapped trigonal prism; bTP; bicapped trigonal prism; tTP; tricapped trigonal prism; Td; tetrahedron; bTd; bicapped tetrahedro
The use of [2-C6R4PPh2]â (Râ¯=â¯H, F) and related carbanions as building blocks in coordination chemistry
Keywords: فلزات انتقالی; ortho-Metallated; Pincer complex; Tripodal complex; Transition metal; Coordination chemistry;
La0.8M0.2MnO3 (MÂ =Â Ba, Ca, Ce, Mg and Sr) perovskite catalysts for plasma-catalytic oxidation of ethyl acetate
Keywords: فلزات انتقالی; Plasma-catalysis; Dielectric barrier discharge; Transition metal; Perovskite catalyst;
Transition metal atom Fe, Co, Ni decorated B38 fullerene: Potential material for hydrogen storage
Keywords: فلزات انتقالی; Hydrogen storage; Transition metal; Boron fullerene; Adsorption energy;
Enhanced light harvesting with chromium in NaLu0.70âxGd0.10F4:Yb0.18Er0.02Crx (0 â¤Â x â¤Â 0.25) upconversion system
Keywords: فلزات انتقالی; Dope; Transition metal; Up-conversion; Sensitizer; Quantum yield;
Chemisorption of a hydrogen adatom on metal doped α-Zr (0 0 0 1) surfaces in a vacuum and an implicit solvation environment
Keywords: فلزات انتقالی; Hydrogen adsorption; Zirconium; Transition metal; d-band model; Implicit solvation model;
Hyperfine structure measurements of neutral vanadium by laser-induced fluorescence spectroscopy in the wavelength range from 750â¯nm to 860â¯nm
Keywords: فلزات انتقالی; Atomic structure; Transition metal; Laser spectroscopy; Vanadium;
Photoluminescence studies of cobalt (II) doped zinc silicate nanophosphors prepared via sol-gel method
Keywords: فلزات انتقالی; Cobalt (II) doped zinc silicate; Transition metal; Sol-gel method; Nanophosphor;
A First Principle Study of the Electronic Structures of Transition Metal Doped GaN for Diluted Magnetic Semiconductor Applications
Keywords: فلزات انتقالی; GaN; diluted magnetic semiconductor; transition metal; electronic properties; magnetic properties; density functional theory;
The Investigation of Electronic Structure of Transition Metal Doped TiO2 for Diluted Magnetic Semiconductor Applications: A First Principle Study
Keywords: فلزات انتقالی; TiO2; diluted magnetic semiconductor; transition metal; electronic properties; magnetic properties; density functional theory;
Decomposition of formic acid for hydrogen production over metal doped nanosheet-like MoC1âx catalysts
Keywords: فلزات انتقالی; Formic acid; Hydrogen production; Molybdenum carbide; Transition metal; Metal doped catalyst;
High Conductive Architecture: Bimetal Oxide with Metallic Properties @ Bimetal Hydroxide for High-performance Pseudocapacitor
Keywords: فلزات انتقالی; high conductivity; metallic properties; transition metal; first principles calculation; pseudocapacitor;
Promoting oxidative activity and stability of CeO2 addition on the MnOx modified kaolin-based catalysts for catalytic combustion of benzene
Keywords: فلزات انتقالی; Kaolin; Rare earth; Transition metal; Benzene; Catalytic combustion;
Transition-metal incorporation and Co-Sr/Mn-Sr mixed-modifier effect in metaphosphate glasses
Keywords: فلزات انتقالی; Phosphate glass; Transition metal; Mixed-modifier effect;
Research articlesTransition metals doped and encapsulated ZnO nanotubes: Good materials for the spintronic applications
Keywords: فلزات انتقالی; ZnO nanotubes; Density functional theory; Diluted magnetic semiconductor; Transition metal; Magnetic properties; Electronic structure;
Recent development of transition metal complexes with in vivo antitumor activity
Keywords: فلزات انتقالی; Transition metal; In vivo; Anti-tumor; Cancer;
Strain engineering of H/transition metal systems
Keywords: فلزات انتقالی; Hydrogen; Transition metal; Strain engineering; Density functional theory;
A DFT study on the mechanism of Rh-catalyzed competitive 1,2- versus 1,3-acyloxy migration followed by [5+1] and [4+1] cycloadditions of 1,4-enynes with CO
Keywords: فلزات انتقالی; DFT; Transition metal; Rhodium; Acyloxy migration; Enynes; Cycloaddition;
Electrocatalytic Activity of Novel Ball-Type Metallophthalocyanines with Trifluoro Methyl Linkages in Oxygen Reduction Reaction and Application as Zn-Air Battery Cathode Catalyst
Keywords: فلزات انتقالی; Zn-air Battery; Phthalocyanine; Transition Metal; Electrocatalysis; Oxygen Reduction Reaction;
Electronic structure of transition metal β-diketonates with an open d-shell
Keywords: فلزات انتقالی; Transition metal; β-diketonates; Density functional theory; Electronic structure; Photoelectron spectroscopy;
Ab initio calculations for structural, electronic and magnetic behaviors of nitrogenized monolayer graphene decorated with 5d transition metal atoms
Keywords: فلزات انتقالی; Dilute magnetic semiconductor; Magnetic moments; Transition metal; Graphene;
Substitutional doping of zirconium-, molybdenum-, ruthenium-, and palladium: An effective method to improve nonlinear optical and electronic property of C20 fullerene
Keywords: فلزات انتقالی; Nonlinear optical property; Transition metal; Organometallic; Hyperpolarizability; Fullerene;
Sc and Nb dopants in SrCoO3 modulate electronic and vacancy structures for improved water splitting and SOFC cathodes
Keywords: فلزات انتقالی; Perovskite; Transition metal; Electrocatalyst; SOFC; DFT; Vacancies;
DFT investigation of NH3, PH3, and AsH3 adsorptions on Sc-, Ti-, V-, and Cr-doped single-walled carbon nanotubes
Keywords: فلزات انتقالی; Adsorption; Carbon nanotube; DFT; Gas adsorption; Transition metal;
Transition-metal-based (Zn2+ and Cd2+) metal-organic frameworks as fluorescence “turn-off” sensors for highly sensitive and selective detection of hydrogen sulfide
Keywords: فلزات انتقالی; Metal-organic frameworks; Sensor; Hydrogen sulfide; Transition metal; Detection;
Hydrogen adsorption on graphene sheets doped with group 8B transition metal: A DFT investigation
Keywords: فلزات انتقالی; Adsorption; DFT; Graphene sheet; Hydrogen storage; Transition metal;
Supramolecular structures of Ni(II) and Pt(II) based on the substituted 2, 2â²: 6â², 2â³-terpyridine: Synthesis, structural characterization, luminescence and thermal properties
Keywords: فلزات انتقالی; Transition metal; Terpyridine; Crystal structure; Thermal properties; Luminescence;
Hydrogen-bridge Si(μ-H)3CeH and inserted H3SiCeH molecules: Matrix infrared spectra and DFT calculations for reaction products of silane with Ce atoms
Keywords: فلزات انتقالی; Hydrogen bridge bond; Matrix isolation; Transition metal; DFT calculation;
Catalytic oxidation of soot on mesoporous ceria-based mixed oxides with cetyltrimethyl ammonium bromide (CTAB)-assisted synthesis
Keywords: فلزات انتقالی; CeO2; Solid solution; Transition metal; Mesoporous; Soot oxidation;
Tunable emission of Cu (Mn)-doped ZnInS quantum dots via dopant interaction
Keywords: فلزات انتقالی; Co-doping; Zinc-based quantum dot; Transition metal; Tunable emission; Interaction; CIE chromatic diagram;
Organometallic chemistry of bis(N-heterocyclic carbene) ligands containing a heteroarene spacer
Keywords: فلزات انتقالی; N-Heterocyclic carbene; Transition metal; Heteroarene; Polydentate ligand; Catalysis; Ac; acetyl; bpy; 2,2â²-bipyridine; BEMP; N,N-diethyl-1,3-dimethyl-2-[(2-methyl-2-propanyl)imino]-1,3,2λ5-diazaphosphinan-2-amine; nBu; n-butyl; tBu; tert-butyl; Bz; be
Structural diversity of 1,3-propylenediaminetetraacetato metal complexes: From coordination monomers to coordination polymers and MOF materials
Keywords: فلزات انتقالی; 1,3-H4pdta; 1,3-propylenediaminetetraacetic acid; H4edta; ethylenediaminetetraacetic acid; CP; coordination polymer; 1D-CP; one dimensional coordination polymer; 2D-CP; two dimensional coordination polymer; 3D-CP; three dimensional coordination polymer; e
Transition metal catalyzed element-elementâ² additions to alkynes
Keywords: فلزات انتقالی; Alkynes; Alkenes; Element-element bonds; Catalysis; Transition metal;
Facile preparation of size-controlled mesoporous silica particles by metal-chelating surfactant micelle complexes
Keywords: فلزات انتقالی; Nanoporous; Mesoporous silica; Metal-chelating micelle surfactant; Transition metal;
Incorporation of platinum atoms in a silicon-free boride of the YB50-type structure
Keywords: فلزات انتقالی; Boride; Transition metal; Single crystal X-ray diffraction; YB45−xPty
Synthesis and characterization of group VIB metal carbonyl heteroacene complexes
Keywords: فلزات انتقالی; N-fused acene; Transition metal; Synthesis; Crystal structures; Electrochemical properties
Steric effects of CO2 binding to transition metal-benzene complexes: A first-principles study
Keywords: فلزات انتقالی; Carbon capture; Steric hindrance; 18-electron rule; Transition metal
Influence of transition metal atoms doping on structural, electronic and nonlinear optical properties of Mg12O12 nanoclusters: A DFT study
Keywords: فلزات انتقالی; Mg12O12; NLO; Doping; DFT calculation; First hyperpolarizability; Transition metal