1711 papers
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.
This study reports the cyclization reactions of 2-mercaptobenzimidazole with bromotrifluoroethylene and 2-bromo-1,1-difluoroethylene to isolate new halogenated 2,3-dihydrobenzimidazo[4,5b]thiazole-1,3 derivatives, whose structures were confirmed by single-crystal X-ray diffraction analysis.
This study demonstrates that coupling precision fluidic regulation with XGBoost-SHAP machine learning optimization significantly accelerates humic acid extraction from lignite while preserving its structural integrity, enabling the resulting high-purity product to effectively enhance microalgal wastewater treatment performance at optimal dosages.
This study demonstrates that synthesizing polyaniline in protic ionic liquids significantly enhances its electrical conductivity, wettability, and electrochemical stability, resulting in a superior multifunctional material for integrated energy storage and electrochemical sensing applications compared to those synthesized in aprotic ionic liquids or sulfuric acid.
This paper presents a low-cost, scalable, and durable smart window coating made from polydimethylsiloxane (PDMS) sponges that utilizes silicone oil infusion to achieve tunable light transmittance and significant thermal regulation, offering a sustainable solution to reduce building energy consumption.