📄 Category

chemistry

1639 papers

📄 chemistry

Electrolyte Composition Governs Polysulfide Shuttling and Electrochemical Stability in Li/FeS₂ Batteries: Organic, Ionic Liquid, and Hybrid Electrolytes Compared

This study demonstrates that a hybrid organic–ionic liquid electrolyte optimizes Li/FeS₂ battery performance by simultaneously enhancing ionic transport and significantly suppressing polysulfide shuttling, thereby achieving superior electrochemical stability and reduced sulfur loss compared to conventional organic or pure ionic liquid electrolytes.

Clifford Denize, Sycoi David, Josiah Clarke, Sunil Adhikari, Sangram Pradhan, Makhes Behera, Messaoud Bahoura2026-09-28
📄 chemistry

Elemental sulfur enables a thione-mediated, non-radical polycondensation toward poly(benzodifurandione)

This paper reports a scalable, metal-free polycondensation of poly(benzodifurandione) mediated by non-toxic elemental sulfur that achieves ultrahigh conductivity through a non-radical, thione-based mechanism with in-situ doping, resolving the traditional trade-off between performance, benign conditions, and scalability.

Zi-Hao Guo, Yi-Dan Luan, Jia-Qiang Liao, Xin-Yu Wang, Tian-Yi Dai, Si-Jing Wang, Xin-Yi Liu, Shuo Chen, Feng Ye, Rong-Sh (…)2026-09-28
📄 chemistry

Modular hinge synthesis of linear conjugated polymer single crystals for intrinsic electronics

This study overcomes decades of experimental limitations in intrinsic polymer electronics by introducing a modular hinge synthesis strategy that creates novel porous cross-linear conjugated polymer single crystals, enabling the first direct measurement of their superior intrinsic conductivity compared to conventional parallel-linear architectures.

Zhenjie Zhang, Tonghai Wang, Zhecheng Sun, Yujie Liu, Jingyu Zhang, Wenbo Zhou, Yi Yang, Yatong Yang, Michael J. Zaworot (…)2026-09-28
📄 chemistry

Design of Novel Quinazoline-Based Allosteric EGFR Inhibitors against C797S-Mediated Resistance: An Integrated QSAR, Molecular Docking, Dynamics and ADMET Study

This study employs an integrated computational approach to design and evaluate novel quinazoline-based allosteric EGFR inhibitors, identifying compound D4 as a promising lead capable of overcoming C797S-mediated resistance in non-small cell lung cancer while maintaining favorable drug-like properties.

Abdurrahman hudu, Stephen Eyije Abechi, Somdutt Mujwar, Adamu Uzairu, Mohamed El Fadili El Fadili, Gideon Adamu Shallang (…)2026-09-26
📄 chemistry

Coordination-Defined Ionic Cocrystals Drive Electronic Structure Engineering in Ionic Carbon Nitrides for High-Performance H2O2 Photosynthesis

This study demonstrates that utilizing a crystalline urea-LiCl ionic cocrystal with discrete Li-carbonyl coordination as a precursor enables the precise engineering of the electronic structure in poly(heptazine imide) carbon nitrides, resulting in a record-breaking 89% quantum yield for H2O2 photosynthesis while maintaining the conventional framework.

Christian Mark Pelicano, Anna Lo Presti, Zahra Hajiahmadi, Mu Xiao, Thomas Kühne2026-09-25
📄 chemistry

Study on Multiphase Pyrolysis Kinetics and Fire Early Warning Characteristics of Cable Sheaths and Insulating Layers

This study integrates thermal analysis and kinetic modeling to elucidate how graded mineral fillers in multilayer cable sheaths govern pyrolysis mechanisms and volatile emissions, ultimately establishing a two-tier fire early-warning paradigm based on specific temperature thresholds and characteristic gas markers for enhanced urban utility tunnel safety.

Yujie YIN, Lei Lei, Zeyu Wang2026-09-25
📄 chemistry

vIR-OLO: an open-source YOLO-based interface for functional- group detection and localization in infrared spectra

The paper introduces vIR-OLO, an open-source, YOLO-based framework that reformulates functional group identification in infrared spectra as an object detection task to simultaneously predict group presence and localize characteristic spectral regions, thereby enhancing interpretability and supporting human-in-the-loop workflows.

Uriel Garcilazo-Cruz, Qichen Nie, Rudra Sondhi, Rodrigo A. Vargas-Hernández2026-09-25