📄 chemistry

Mechanisms of Surface Degradation and Mechanical Property Deterioration in Haynes 230 Under High-Temperature Ultrahigh-vacuum

Exposure of Haynes 230 alloy to high-temperature ultrahigh-vacuum conditions for up to 2000 hours induces surface degradation through selective element volatilization and carbide precipitation, leading to pronounced mechanical property deterioration at 900°C caused by Cr depletion, grain-boundary sinking, and rapid oxygen diffusion along grain boundaries.

Shuting Yuan, Wanhuan Yang, Jichun Zou, Jiandong Kang, Binlin Hua, Yurui Chen, Shen Li, Weihua Zhong, Wen Yang2026-09-29
📄 chemistry

Quantum chemical modelling of sequence encoded energetics and electrostatic landscapes governing early peptide association in α- synuclein and amyloid β

This study demonstrates that the specific sequence arrangement of amino acids, rather than just their composition, critically governs the early association energetics, intermolecular contacts, and electrostatic landscapes of α-synuclein and amyloid β peptides through quantum chemical modeling, highlighting the unique role of residue order in the molecular mechanisms underlying neurodegenerative diseases.

Oluwasesan Adegoke, Ojodomo J. Achadu2026-09-29
📄 chemistry

A Crystalline Micelle Intermediate Links Crystallization and Melting in Crystallization-driven Self-assembly

This study reveals that crystallization-driven self-assembly of PS-b-PLLA platelets and their subsequent melting are linked by a reversible, transient crystalline micelle intermediate, demonstrating that while growth and disassembly follow distinct microscopic pathways, they share a common mesoscale building block governed by interfacial and corona-stretching free energies.

Fajun Zhang, Enyi Chi, Haiying Huang, Claire Tougne2026-09-29
📄 chemistry

Microscopic Simulation Study on the Coupled Failure of Key Components during Thermal Runaway of Lithium Iron Phosphate Batteries

This study employs reactive force-field molecular dynamics and density functional theory to elucidate the atomistic mechanisms of coupled thermal runaway in LiFePO₄ batteries, revealing how the synergistic degradation of the solid electrolyte interphase, alumina-coated separator, and electrolyte drives the transition from single-component failure to multiphase thermal collapse.

Shuling Zhang, Yuge Chen, Zhicheng Li, Shixiong Jiang, Wenbin Lin, Ruikang Wang, Yixiao Zhang, Jun Xie2026-09-29
📄 chemistry

Solid-state, rapid mechanochemical pathway for zinc phthalocyanine-embedded Schiff-Base polymer-TiO2 nanocomposite for LED assisted efficient photochemical remediation of hexavalent chromium

This study demonstrates that a zinc phthalocyanine-embedded Schiff-Base polymer encapsulated TiO2 nanocomposite, synthesized via a solid-state mechanochemical pathway, achieves 88% efficient photochemical remediation of hexavalent chromium under LED irradiation, significantly outperforming pure TiO2.

Shwetha Rajappa, Poornima Gubbi Shivarathri, Midhunlal P V, Praveen Kumar M V, Viswanatha Handhvinahalli Mariswamy, Bhag (…)2026-09-29
📄 chemistry

Steric control over cobalt oxidation state and coordination geometry in Schiff base complexes: Synthesis, crystal structures, spectroscopic properties and urease inhibitory activity of tris-chelate Co(III) and bis-chelate Co(II) complexes

This study demonstrates that the steric bulk of N-alkyl substituents in Schiff base ligands dictates the coordination geometry and oxidation state of cobalt complexes, where the less hindered cyclopentyl group yields an octahedral Co(III) tris-chelate while the bulkier cyclohexyl group forms a tetrahedral Co(II) bis-chelate, with the latter exhibiting superior urease inhibitory activity.

Zhong-Lu You, Hao-Jie Yuan, Yi Tang2026-09-29
📄 chemistry

Amorphous Ce0.5Fe0.5O1.75/NIO electrocatalyst synthesized by hydrothermal method and wet impregnation for enhanced oxygen evolution reaction

This study reports a hydrothermally synthesized amorphous Ce0.5Fe0.5O1.75/NiO heterostructure on nickel foam that exhibits exceptional oxygen evolution reaction performance and durability in alkaline freshwater by leveraging d–f orbital coupling and interfacial charge redistribution to optimize intermediate adsorption and electron transport.

Chang Shu, Hao Cheng2026-09-29
📄 chemistry

Non-invasive pigment identification at the Yungang Grottoes (Caves 7–8): a chemically corroborated spectral library

This study establishes a chemically corroborated, three-tier reflectance spectral library for the Yungang Grottoes (Caves 7–8) that significantly improves non-invasive pigment identification accuracy through a weighted matching algorithm, enabling a comprehensive pigment inventory and scalable hyperspectral mapping for future conservation efforts.

Bo Ning, Lihong Li, Wenxiu Wan, Ziru Yu, Xiangyang Yu, Yuchen Guo, Shuqiang Lyu, Kunxi Qu2026-09-29