📄 Category

chemistry

1014 papers

📄 chemistry

Electrical Performance of Cement Nanofiller Composites for Low-Grade Thermoelectric Energy Harvesting

This study demonstrates that incorporating super-grade graphene, multi-walled carbon nanotubes, and carbon soot nanoparticles into cement via a wet casting method significantly enhances electrical conductivity through conductive network formation, percolation, and charge transport mechanisms, thereby enabling the material's potential for low-grade thermoelectric energy harvesting from waste heat.

Thakur Ramjiram Singh, Shiv Singh, Subhasis Pradhan, Dheerendra Singh2026-08-19
📄 chemistry

Mechanical and physicochemical performance of calcined kaolin based alkali activated compressed lateritic earth blocks versus Portland cement stabilization at early age

This study demonstrates that calcined kaolin-based geopolymer serves as a viable low-carbon alternative to Portland cement for stabilizing compressed lateritic earth blocks, offering superior compressive strength and water resistance at early ages, although Portland cement retains an advantage in flexural performance.

Idriss Eguekeng, Rolande Aurelie Tchouateu Kamwa, Sylvain Tome, Juvenal Giogetti Deutou Nemaleu, Marie Annie Etoh2026-08-19
📄 chemistry

JURY: A Comprehensive Training-Free to Fully-Supervised Framework for Evaluating Chemical Language Models

The paper introduces JURY, a comprehensive framework utilizing four distinct probes ranging from training-free to fully supervised methods to rigorously evaluate chemical language models, revealing that their true chemical encoding capabilities are often obscured by powerful prediction heads and are more comparable to traditional fingerprints than previously thought.

Daanish Uddin Khan, Naafey Aamer, Muhammad Sajjad, Sebastian Vollmer, Andreas Dengel, Muhammad Nabeel Asim2026-08-19
📄 chemistry

Design, Synthesis and Bioinformatic study of 1,3,4 Oxadiazole Derivatives for its Pharmacological Activity

This study reports the synthesis of ten novel 1,3,4-oxadiazole derivatives via conventional and microwave-assisted methods, followed by an integrated evaluation of their pharmacological potential through in silico molecular docking, ADME profiling, and in vitro polymorphism analysis to assess their structural stability and binding interactions with the target protein (PDB ID: 5U7N).

Geetanjali Shinde, S. K. Mohite, Sandip Kane, Rustom Kharde, Gautami Kharage, Bhavana Shelke, Shrutika Pattanshetti2026-08-19
📄 chemistry

One-step synthesis of NiS2/Ni3S4 under atmospheric pressure using deep eutectic solvent as dual reaction medium and morphology regulator

This paper reports an atmospheric-pressure synthesis of a NiS2/Ni3S4 composite using a deep eutectic solvent as both a reaction medium and morphology regulator, which facilitates a disproportionation pathway to produce nanosized particles with high electrical conductivity suitable for electrocatalysis and energy storage applications.

Yuan Zhang, Zhongwei Zhang, Enhui Wu, Peng Liu, Zhong Xu, Jing Hou, Jun Li, Chunqiang Lu2026-08-19
📄 chemistry

Dielectric Evolution Enables Stage-Dependent Microwave Enhancement of PAN Fiber Stabilization for Carbon Fiber Production

This study demonstrates that microwave-assisted stabilization of polyacrylonitrile (PAN) fibers becomes increasingly effective as the material's dielectric properties evolve during oxidation, enabling stage-adaptive processing that surpasses conventional high-temperature hot-air treatment and offers a pathway to reduce the energy costs of carbon fiber production.

Hung-Chun Hsu, Hsien-Wen Chao, Wan-Chi Chou, Tsun-Hsu Chang2026-08-19
📄 chemistry

Effect of element composition of cathode on the carbothermic reduction of spent lithium-ion electrode materials

This study demonstrates that the element composition of spent Ni-rich cathode materials (NCM523, NCM811, and NC101) significantly influences their carbothermic reduction kinetics and thermodynamic stability, with higher nickel and cobalt content leading to lower Gibbs free energy, reduced reaction complexity, and improved lithium leaching efficiencies up to 91.31% at 700°C.

Weining Xie, Shuyi Ren, Bu Chu, Xueying He, Wenzhe Wang, Haifeng Wang, Shuai Wang, Rui Zhou, Fengbin Zhang, Linhan Ge, Y (…)2026-08-18
📄 chemistry

A Theoretical Investigation of Excited State Kinematics and Optoelectronic Properties of Gold-Centered Carbene Metal Amides for Thermally Activated Delayed Fluorescence

This study utilizes density functional theory to investigate five gold-centered carbene metal amides, revealing that while the fundamental molecule exhibits a high reverse intersystem crossing rate, strategic modification of donor ligands with side chains optimizes emission intensity for effective Thermally Activated Delayed Fluorescence applications despite a slight reduction in kinetic rates.

Kazi Mahmudur Rahman, Muhammed Sakil Hussain, Nazia Chawdhury2026-08-18
📄 chemistry

Continuous photocatalytic redox-neutral hydrohalogenation of unsaturated C-C bonds to mono-halides under mild conditions

This paper reports a continuous, redox-neutral photocatalytic approach using RuO2/TiO2 nanosheets that enables the highly selective, mild-condition synthesis of various organic mono-halides from unsaturated hydrocarbons and hydrohalic acids with 100% atomic efficiency and exceptional stability.

Binbin Huang, Xiaojia Lei, Chao Lei, Wenqian Chen, Xuxu Wang, Caizhen Yue, Jianbo Liu, Zhuo Chen, Tiefeng Wang2026-08-18
📄 chemistry

Chlorine Corrosion Behavior of AlxCo20Cr20Fe(40-x)Ni20 high-entropy alloys in an Oxidizing Chlorine-Containing Atmosphere at 700oC

This study demonstrates that among AlxCo20Cr20Fe(40-x)Ni20 high-entropy alloys tested at 700°C in an oxidizing chlorine-containing atmosphere, the Al9 composition exhibits superior corrosion resistance compared to Inconel 625 due to the synergistic formation of a dense, slow-growing Al2O3 protective layer.

Lingyun Bai, Longfa Jiang, Junhuai Xiang, Botao Xiao, Xunhu Xu2026-08-18