The Pivotal Role of s-, p-, and f-Block Metals in Water Electrolysis: Status Quo and Perspectives.
Sign Up to like & getrecommendations! Published in 2022 at "Advanced materials"
DOI: 10.1002/adma.202108432
Abstract: Transition metals, in particular noble metals, are the most common species in metal-mediated water electrolysis because they serve as highly active catalytic sites. In many cases, the presence of non-transition metals, that is, s-, p-,… read more here.
Keywords: pivotal role; transition metals; water; block metals ... See more keywords
Revisit of Nitrogen Electro-Reduction on Borophene-Supported Atomic and Diatomic Transition Metals: Stability, Activity and Selectivity Improvements via Defect-Engineering.
Sign Up to like & getrecommendations! Published in 2022 at "ChemSusChem"
DOI: 10.1002/cssc.202200930
Abstract: The present work investigates the binding of atomically dispersed transition metals to the perfect and single/double vacancy (SV/DV)-containing defective β12 -borophenes and the catalytic performance of those corresponding single-atom catalysts (SACs) and diatomic catalysts (DACs)… read more here.
Keywords: borophene; reduction; metal; revisit nitrogen ... See more keywords
A DFT Survey of the Effects of d‐Electron Count and Metal Identity on the Activation and Functionalization of C−H Bonds for Mid to Late Transition Metals
Sign Up to like & getrecommendations! Published in 2017 at "Israel Journal of Chemistry"
DOI: 10.1002/ijch.201700066
Abstract: The contribution of metal identity to the activation and functionalization of methane by a series of three-coordinate imide complexes is evaluated in silico for a 3-by-3 block of metals from Fe to Pt. Three mechanisms… read more here.
Keywords: activation functionalization; identity activation; transition metals; metal ... See more keywords
Magnetism of 3d Transition Metals Doped 2H, 4H and 6H-GaN Polytypes
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Superconductivity and Novel Magnetism"
DOI: 10.1007/s10948-016-3917-0
Abstract: We present spin-polarized density-functional theory study of substitutional 3d transition metal (TM) atoms (Sc → Ni) in various host polytypes of GaN. For the structural parameters, we found that a(c) decreases (increases) from Sc to… read more here.
Keywords: transition metals; magnetism transition; doped gan; gan polytypes ... See more keywords
Application of Hydrogen in the Production of Sintered Anisotropic Nanostructured Magnets from Alloys of Rare-Earth and Transition Metals
Sign Up to like & getrecommendations! Published in 2019 at "Materials Science"
DOI: 10.1007/s11003-019-00262-7
Abstract: The main stages of the procedure of hydrogen treatment of ferromagnetic materials based on Nd2Fe14B, SmCo5, and Sm2Co17 compounds of rare-earth and transition metals aimed at manufacturing of nanostructured anisotropic sintered magnets are discussed. It… read more here.
Keywords: earth transition; hydrogen; transition metals; rare earth ... See more keywords
Theoretical study of (TM)FeO3 (TM = 3d transition metals) molecular clusters
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Nanoparticle Research"
DOI: 10.1007/s11051-020-04854-2
Abstract: Time-dependent density functional theory–based calculations were carried out to comprehensively investigate the structural, electronic, and optoelectronic properties of series of molecular clusters (TM)FeO3 (with TM = 3d elements). The structures were studied at different levels… read more here.
Keywords: study feo3; theoretical study; transition metals; study ... See more keywords
Enhancement of catalytic performance over different transition metals modified CeO2 for toluene abatement
Sign Up to like & getrecommendations! Published in 2019 at "Reaction Kinetics, Mechanisms and Catalysis"
DOI: 10.1007/s11144-019-01616-7
Abstract: Pure CeO2 and CeO2–MOx (M: Mn, Zr and Ni) catalysts were synthesized by the co-precipitation method and evaluated for the oxidation of toluene. The characterization showed that the specific surface area and the porous texture… read more here.
Keywords: transition; transition metals; enhancement catalytic; different transition ... See more keywords
Complex compounds of transition metals with hydroxyaromatic carboxylic acids as precursors for the synthesis of nanosized metal oxides
Sign Up to like & getrecommendations! Published in 2020 at "Russian Chemical Bulletin"
DOI: 10.1007/s11172-020-2851-2
Abstract: Eight complex compounds of Mn II , Fe II , Co II , Ni II and Cu II with 2,4,6-trihydroxy benzoic acid and 3,4,5-trihydroxybenzoic acid were synthesized in a crystalline form. Nanosized metal oxide particles… read more here.
Keywords: compounds transition; complex compounds; transition metals; metals hydroxyaromatic ... See more keywords
The oceanic cycles of the transition metals and their isotopes
Sign Up to like & getrecommendations! Published in 2017 at "Acta Geochimica"
DOI: 10.1007/s11631-017-0162-6
Abstract: The stable isotope systems of the transition metals potentially provide constraints on the current and past operation of the biological pump, and on the state of ocean redox in Earth history. Here we focus on… read more here.
Keywords: transition; isotope; transition metals; cycles transition ... See more keywords
Phonon and thermodynamic properties of bcc transition metals using MEAM potentials
Sign Up to like & getrecommendations! Published in 2019 at "Indian Journal of Physics"
DOI: 10.1007/s12648-019-01497-5
Abstract: Recently, Jin et al. (Appl. Phys. A 120:189, 2015 ) have improved the modified embedded atom method (MEAM) potentials for metals. The validity of those potentials for the body-centered cubic (bcc) transition metals, Cr, Fe,… read more here.
Keywords: thermodynamic properties; meam potentials; bcc transition; transition metals ... See more keywords
Amorphous phase stability and the interplay between electronic structure and topology
Sign Up to like & getrecommendations! Published in 2017 at "Acta Materialia"
DOI: 10.1016/j.actamat.2017.03.070
Abstract: Abstract It is well-known that the stability of Pd-Si amorphous alloys can be improved substantially by minor additions of alloying elements such as Cu and Ag. Such improvement in stability is explained herein, whereby microscopic… read more here.
Keywords: electronic structure; transition metals; amorphous alloys; topology ... See more keywords