chemistry papers | Gist.Science

Density Functional Theory Guided Mechanistic Study and Predictive Modeling of Pb(II) Adsorption onto Pretreated Chicken Feather Biomass

This study demonstrates that ethanol-pretreated chicken feather biomass is a highly effective, regenerable biosorbent for Pb(II) removal, with its chemisorption mechanism and nonlinear adsorption behavior successfully elucidated and optimized through an integrated framework of experimental analysis, density functional theory, and artificial neural network modeling.

Jibunor Udoka Victor¹, Abuchi Elebo², Anumonye Francis, Ogunyemi Babatunde T.2026-08-20

📄 chemistry

Thermoresponsive Palladium-Loaded Microgels for Rapid and Efficient Catalytic Degradation of Dye Wastewater

This study presents thermoresponsive Pd@p(NIPAM-AA) microgels synthesized via emulsion precipitation polymerization that enable the rapid and efficient catalytic degradation of diverse dye pollutants, achieving 82% methylene blue removal in just 25 seconds with minimal catalyst loading.

Liangbiao Fan, Qingshi Wu, Chaochuan Lin, Li Chen2026-08-20

📄 chemistry

Reaction-Time-Controlled Crystallization of Ultrafine Bi2S3 Nanocrystals for Sodium-Ion Storage in Carbonate Electrolytes

This study demonstrates that a time-programmed hydrothermal synthesis strategy can produce ultrafine Bi₂S₃ nanocrystals with optimized crystallinity and structural integrity, enabling stable, high-capacity sodium-ion storage in carbonate electrolytes without the need for composite engineering or heterostructure formation.

T. Prakash, S. G. Leonardi, S. Siva Shalini, E. Ranjith Kumar, Meryam Chelly, D. Murugesan, Giovanni Neri, R. Govindan2026-08-20

📄 chemistry

Phytochemical-Driven Green Synthesis of NiO Nanoparticles Using Ocimum basilicum and Urtica dioica: Correlating Phytochemical Surface Characteristics With Antimicrobial Activity

This study demonstrates that nickel oxide nanoparticles green-synthesized using *Ocimum basilicum* and *Urtica dioica* extracts exhibit distinct structural, optical, and antimicrobial properties driven by their unique phytochemical surface functionalization rather than particle size alone.

Ömer ÖDEMİŞ, Yusuf ALAN, Eyyüp Murat KARAKURT2026-08-20

📄 chemistry

Oriented External Electric Field Modulated Superhalogen Characteristics and Nonlinear Optical Responses of C 6 H 5 AlP n (n=1-3) Clusters

This study employs density functional theory to demonstrate that an oriented external electric field can modulate the superhalogen characteristics and significantly enhance the nonlinear optical responses of C₆H₅AlPₙ (n=1–3) clusters, with the triangular C₆H₅AlP₃ exhibiting the most dramatic improvement in hyperpolarizability due to extensive intramolecular charge polarization.

Junwei Bu, Qiao Zhou, Qiang Wei2026-08-20

📄 chemistry

Self-organized Ag-Sb lamellae redirect cracks in all-solid-state Li metal batteries

This paper demonstrates that an in-situ generated, self-organized Ag-Sb lamellar interlayer at the lithium/solid-electrolyte interface suppresses dendrite-induced short circuits by redirecting through-thickness cracks and lithium growth laterally, thereby enabling high-performance all-solid-state batteries without the tradeoffs associated with stack pressure.

Hongli Zhu, Cheng Xu, Shiyao Lin, Bharat Pant, Ye Cao, Jiwei Wang, Han Su, Hua Zhou, Luxi Li, Xianhui Zhao, Ercan Cakmak (…)2026-08-20

📄 chemistry

A Coupled Plasma-Assisted Growth and Electrochemical Modelling Framework for Predicting the Supercapacitor Performance of Vertically Oriented Graphene Nanosheets

This paper presents a coupled computational framework linking plasma-enhanced chemical vapor deposition conditions to the growth morphology and electrochemical performance of vertically oriented graphene nanosheets, demonstrating that optimizing plasma parameters enhances supercapacitor capacitance primarily through increased surface area and active sites while maintaining electric double-layer capacitance as the dominant charge-storage mechanism.

Neha Jain, Suresh C. Sharma2026-08-20

📄 chemistry

Synthesis and Magnetic Properties of Novel 3d-4f Ln-Mn Hetero Nuclear Complexes

This paper reports the synthesis and structural characterization of novel Z-shaped one-dimensional 3d-4f Ln-Mn heteronuclear complexes bridged by 2,6-dipic ligands, along with an analysis of their antiferromagnetic exchange interactions and spin-orbit coupling phenomena.

Fan Jiang, Yue Ke, Xiaohan Gao, Yuchi Zhou, Shuo Li, Xuechuan Lv, Almas Tusipkhan2026-08-20

📄 chemistry

Using a Benign Lutidinium Moiety for Mitochondrion-Targeted Drug Delivery

This study demonstrates that the small, benign, and food-safe lutidinium moiety serves as an effective alternative to triphenyl phosphine for mitochondrion-targeted drug delivery, achieving substantial enrichment (250–1000 fold) in mouse liver mitochondria with minimal hydrophobicity and toxicity.

Manjusha Roy Choudhury, Shameer M Kondengadan, Xiaoxiao Yang, Shubham Bansal, Zhixiang Pan, Binghe Wang2026-08-20

📄 chemistry

Hydrophobic Porous Polymer Films for the Degradation of Poorly Water-Soluble Dyes by Immobilization of Visible-Light- Responsive Photocatalysts

Hydrophobic porous polymer films immobilized with ZnSe/ZnTe hybrid photocatalysts were fabricated via a modified breath figure method to create a reusable, highly efficient platform for the visible-light degradation of poorly water-soluble dyes by leveraging pore-induced molecular concentration and superior interfacial reaction kinetics.

Prajapati, Sreejith Sreenivasan, Bokyoung Shin, Do Sung Huh2026-08-20

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