Results 141 to 150 of about 158,251 (314)

Parameterization of a Fluctuating Charge Model for Complexes Containing 3d Transition Metals

open access: yes
Metalloproteins widely exist in biology, playing pivotal roles in diverse life processes. Meanwhile, molecular dynamics (MD) simulations, which are driven by classical force fields, have emerged as indispensable tools in scientific research.
Luke, Landry, Pengfei, Li
core   +1 more source

Configuring Bonds between First-Row Transition Metals

open access: yes, 2015
ConspectusAlfred Werner, who pioneered the field of coordination chemistry, envisioned coordination complexes as a single, transition metal atom at the epicenter of a vast ligand space. The idea that the locus of a coordination complex could be shared by
Reed J. Eisenhart (1469023)   +2 more
core   +1 more source

Thermodynamic Pathways of Nonequilibrium Solidification in Wire‐Arc Additive Manufacturing Fe‐Based Multicomponent Alloy Structures

open access: yesAdvanced Engineering Materials, EarlyView.
Geometry‐driven thermal behavior in wire‐arc additive manufacturing (WAAM) influences microstructural evolution during nonequilibrium solidification of a chemically complex Fe–Cr–Nb–W–Mo–C nanocomposite system. By comparing different deposits configurations, distinct entropy–cooling rate correlations, segregation, and carbide evolution are revealed ...
Blanca Palacios   +5 more
wiley   +1 more source

Molecular reaction mechanisms involving transition metals: experimental and theoretical aspects

open access: yes, 1994
Supp. al n.2 anno III di: Notizie Area della Ricerca, CNR, FlorenceConsiglio Nazionale delle Ricerche (CNR).
Consiglio Nazionale delle Ricerche, Florence (Italy). Area della ricerca
core  

Electron–electron interactions in simple metals and transition metals

open access: yes, 1982
Approximate formulas have been suggested for the electron–electron scattering amplitude in crystalline metals. These formulas are based on a formal exact relationship between the scattering amplitude and the electronic response functions and on formulas
A. H. MacDonald
core   +1 more source

Tailored Hierarchical Porous Copper Architectures via Three Dimensional Printing and Pressure‐less Sintering for Next‐Generation Lithium‐Metal Batteries

open access: yesAdvanced Engineering Materials, EarlyView.
A hierarchical porous copper current collector is fabricated via three‐dimensional printing combined with pressureless sintering to stabilize lithium metal anodes. The interconnected architecture lowers local current density, guides uniform Li deposition within pores, and suppresses dendrite growth.
Alok Kumar Mishra, Mukul Shukla
wiley   +1 more source

Transition metals vs. chalcogens: the impact on NOx adsorption on MoS2, MoSe2 and WS2 transition-metal dichalcogenides

open access: yes
The widely developed industry of today generates significant amounts of harmful gases, which prompts the search for modern materials allowing for their efficient and reliable detection. Transition-metal dichalcogenides (TMD) constitute well-known example
Maciej , Szary, Piotr, Radomski
core   +1 more source

Reactivities of transition metals with carbon: Implications to the mechanism of diamond synthesis under high pressure

open access: yes, 2011
[[abstract]]The ability for a transition metal to react with carbon increases with its number of electron vacancies in d-orbitals. Elements (e.g. Cu, Zn) with no d-vacancies are inert relative to carbon. Elements (e.g.
Sung, CM;Tai, MF
core   +1 more source

Near‐Field Electrospinning Micro‐Printhead Achieves Precise Control of Nanofiber Deposition

open access: yesAdvanced Engineering Materials, EarlyView.
A micro‐printhead for near‐field electrospinning enables reproducible deposition of polymer nanofibers with diameters below 50 nm. Systematic parameter studies uncover the mechanisms linking operating conditions to fiber morphology, paving the way for precise and low‐cost nanoscale 3D manufacturing.As a high‐resolution, cost‐effective, and rapid ...
Han Xu, Dario Mager, Jan G. Korvink
wiley   +1 more source

Air‐Pressure–Actuated Vibroacoustic Metamaterial With Tunable Bandgap: Design, Modeling, and Characterization

open access: yesAdvanced Engineering Materials, EarlyView.
This article presents the design, modeling, and characterization of air‐pressure–actuated programmable vibroacoustic metamaterials (PVAMM). The study focuses on leveraging air pressure to dynamically tune resonance frequencies for effective noise attenuation.
William Kaal   +2 more
wiley   +1 more source

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