1028 papers
This study proposes a molecular simulation methodology using the representative pore approach and literature force fields to successfully predict hexamethyldisiloxane (L2) adsorption on ordered mesoporous carbons (OMCs) for biogas upgrading applications.
This study characterizes the mechanical properties and compositional ratios of ancient Yemeni Qadhad mortar through experimental analysis, providing a scientific foundation for reproducing this durable, sustainable material for heritage conservation and modern ecological construction.
This study presents a dual-mode sensing probe composed of carbon dots embedded in a europium-based metal–organic framework (Eu-2MIM@CDs) that enables rapid, highly sensitive, and selective ratiometric colorimetric and fluorescence detection of the antibiotic flumequine through competitive displacement and antenna effect mechanisms.
This study demonstrates that Inductively Coupled Plasma Mass Spectrometry (ICP-MS) is an effective tool for the forensic elemental profiling and comparative analysis of jewellery alloys and geological samples, enabling the differentiation of material sources and the identification of compositional heterogeneity.
This study employs DFT calculations at the B3LYP/6-311+G(d,p) level to elucidate the mechanistic pathway and electronic structure of a model intramolecular organic cyclization, revealing a single transition state driven by hyperconjugative interactions that offers valuable insights for designing similar synthetic transformations.
This study employs in situ atomic force microscopy, advanced electron microscopy, and DFT simulations to elucidate the multiscale evolutionary pathways of ZDDP tribofilms, revealing how entropy-driven atomic mixing and dynamic morphological processes govern their formation and adhesion to prevent wear.
This study employs X-ray diffraction, Fourier Transform Infrared spectroscopy, and Scanning Electron Microscopy to demonstrate that bivoltine silk fibers exhibit higher crystallinity and sharper -sheet structures compared to the lower crystallinity and broader peaks found in Tussar silk fibers due to differences in their chemical composition and molecular organization.
This study reports a scalable, high-performance Bi2Te3-MXene heterostructure engineered via interface modification that overcomes the limitations of bulk bismuth telluride to deliver superior bifunctional electrocatalytic activity for hydrogen evolution, oxygen evolution, and oxygen reduction reactions.
This study demonstrates that an Al6061 matrix reinforced with 2 wt% TiVNbMoC3 MXene nanosheets and 16 wt% TiC micro-particles, synthesized via modified stir-casting, exhibits significantly enhanced mechanical strength and superior tribological performance due to the synergistic effects of hard-phase bearing and MXene-induced lubricious tribofilm formation.
This study demonstrates that increasing magnesium content in as-cast Al-1Y alloys systematically alters solidification pathways to form a continuous τ + β eutectic network, which significantly enhances tensile strength and enables tunable thermal and electrical properties, thereby establishing a quantitative framework for optimizing these alloys for combined structural and thermal management applications.