Results 61 to 70 of about 183,857 (232)

Recent Advances in Ionizing Radiation as a Nonequilibrium Chemical Field for Catalysis

open access: yesCarbon and Hydrogen, EarlyView.
Ionizing radiation acts as a nonequilibrium chemical field that generates reactive species and structural perturbations. These radiation‐induced effects bridge catalytic material construction, including metal loading, framework evolution, defect engineering, and carbon‐network reorganization, with selective transformations such as oxidation, reduction,
Junhua Kuang   +8 more
wiley   +1 more source

Investigating the Electrochemical Double Layer with Quantum‐Chemical Simulations and Implicit Solvation Models

open access: yesChemistry – A European Journal, EarlyView.
ESM‐RISM is applied to model electrochemical interfaces and benchmarked against Poisson–Boltzmann and molecular dynamics results. Density profiles, differential capacitance, and adsorption energetics at the gold–electrolyte interface are analyzed, highlighting the capabilities of this implicit electrolyte framework.
Alessandro Mangiameli   +1 more
wiley   +1 more source

Precise asymptotic spreading behavior for an epidemic model with nonlocal dispersal

open access: yes
This paper is to derive the precise asymptotic spreading behavior for an epidemic model with nonlocal dispersal. The proof is based on a Liouville type theorem on the positive bounded entire solutions.
Guo, Jong-Shenq;Poh, Amy Ai Ling;Shimojo, Masahiko
core   +1 more source

Minimal Wave Speed for a Nonlocal Viral Infection Dynamical Model

open access: yesFractal and Fractional
To provide insights into the spreading speed and propagation dynamics of viruses within a host, in this paper, we investigate the traveling wave solutions and minimal wave speed for a degenerate viral infection dynamical model with a nonlocal dispersal ...
Xinzhi Ren   +3 more
doaj   +1 more source

Vibrational Circular Dichroism Spectra of 2,5‐Diaminoterephtalate Macrocycles Reveal Distant Vibrational Exciton Coupling

open access: yesChemistry – A European Journal, EarlyView.
The energy level diagrams for the ν(C═O) and the δ(N─H) vibrations, resulting of combining in‐phase and out‐of‐phase modes on the basis of their local symmetries, was built by applying the exciton coupling theory to a new class of chiral macrocycles, based on the 2,5‐diaminoterephthalate scaffold.
Samara Medina   +4 more
wiley   +1 more source

Nitrogen‐Site Isomerism Unlocks Exciton Dissociation in Vinylene‐Linked COF‐Based Photocatalysts

open access: yesEcoEnergy, EarlyView.
Two regioisomeric vinylene‐linked covalent organic frameworks (COFs) constructed from diazine units with different nitrogen positions are developed for photocatalytic hydrogen evolution reaction (HER). Although structurally similar, the isomeric COFs exhibit distinct electron distribution and charge‐separation behaviors, leading to a more than twofold ...
Ming Wang   +10 more
wiley   +1 more source

A Self‐Enhanced Tandem Catalytic System for Olefin‐to‐Diol Conversion Powered by Single‐Atom Fe Catalysts With In Situ Generated Acid

open access: yesEcoEnergy, EarlyView.
A single‐atom iron catalyst with well‐defined Fe–N4 sites enables a tandem epoxidation‐hydrolysis process for converting terminal olefins to 1,2‐diols. The in situ‐generated isobutyric acid drives the hydrolysis step, affording broad substrate scope and excellent recyclability.
Tao‐Tao Liu   +7 more
wiley   +1 more source

Confined Hot Carrier Cooling Via Excited‐State Energy Gap Engineering in Graphyne Carbon Allotropes

open access: yesENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
The excited‐state energy gap (EEG), regulated by the concentration of sp‐hybridized carbon, provides an effective handle for tuning electron–phonon coupling behavior. This design enables long‐lived confinement of hot carriers near the top of the EEG with controllable energy levels.
Fulong Dai   +9 more
wiley   +1 more source

Modeling enteric fever transmission dynamics: a comparative analysis of local and nonlocal boundary value approaches

open access: yesBoundary Value Problems
This study delves into the transmission dynamics of enteric fever caused by Salmonella bacteria, employing a comparative analysis of local and nonlocal boundary value problem (BVP) formulations.
Mideksa Tola Jiru   +1 more
doaj   +1 more source

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