Adsorption of Asymmetric and Linear Hazardous Gases on Graphene Oxides: Density Functional Study

C – Journal of Carbon Research, Год журнала: 2025, Номер 11(1), С. 4 - 4

Опубликована: Янв. 2, 2025

The introduction of functional groups, such as graphene oxide, can improve the reactivity between molecules, increasing potential for their use in many fields gas sensing and adsorption. It was reported that materials are actively utilized toxic sensor by modifying surface with chemical structural stability. In order to understand mechanisms oxides adsorbing hazardous gases, we classified four gases (H2S, NH3, HF COS) phases (two asymmetric two linear), conducted density theory calculations determine adsorption affinity, which represents binding energy, bond distance, energy charge (Mulliken Hirshfeld methods) band gap HOMO (Highest Occupied Molecular Orbital) LUMO (Lowest Unoccupied Orbital). results showed introducing a group enhanced narrowed (H2S NH3), while linear (HF lowered gap. is judged oxygen groups narrow localized states valence conduction bands or forming new hybrid through interactions all gases. However, from differences phases, stably interacted defect-free, porous flat structure like π–π interactions. short, theoretical findings confirm oxidation local interaction; however, energies pristine graphene, highlights importance material selection dependent on target

Язык: Английский

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A first-principles study on the impact of different interface bonding configurations and proportions on the transition to metallic characteristics in two-dimensional C-BN heterostructures

Chemical Physics, Год журнала: 2025, Номер unknown, С. 112729 - 112729

Опубликована: Апрель 1, 2025

Язык: Английский

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Fabrication of B-C-N nanosheets on Rh(111) from benzene – borazine mixtures

Surface Science, Год журнала: 2024, Номер unknown, С. 122633 - 122633

Опубликована: Окт. 1, 2024

Язык: Английский

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Boron Nitride‐Supported Fluorescein Isothiocyanate for Improving Optical Performance and Stability

ChemistrySelect, Год журнала: 2024, Номер 9(40)

Опубликована: Окт. 1, 2024

Abstract Organic luminogens play an indispensable role in optoelectronic devices, yet there is a pressing need to address their aggregation‐caused quenching (ACQ) and stability. Here we designed prepared multilayered boron nitride nanosheets/fluorescein isothiocyanate (MBNNSs/FITC) composite phosphors with tunable photoluminescence by controlling the FITC content annealing temperature. The research results indicate that MBNNSs/FITC low or high loading of not conducive enhancing emission intensity FITC, which can be attributed fact leads decrease fluorescent groups, while promotes intermolecular aggregation dyes. Interestingly, MBNNSs/FITC‐6 further enhanced treatment (200 °C), ascribed suppression ACQ effective energy transfer from MBNNSs FITC. Moreover, resultant phosphor displays outstanding thermal stability, remarkable photo stability exceptional water‐resistance. This work provides new design space for development non‐rare‐earth materials using organic

Язык: Английский

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The Construction of Iodine-Doped Carbon Nitride as a Metal-Free Nanozyme for Antibacterial and Water Treatment

Nanomaterials, Год журнала: 2024, Номер 14(16), С. 1369 - 1369

Опубликована: Авг. 21, 2024

Metal-free photocatalysis that produces reactive oxygen species (ROS) shows significant promising applications for environmental remediation. Herein, we constructed iodine-doped carbon nitride (I-CN) in the photocatalytic inactivation of bacteria and heterogeneous Fenton reaction. Our findings revealed I-CN demonstrates superior activity compared to pure CN, due enhanced light adsorption a narrowed band gap. Antibacterial tests confirmed exhibits exceptional antibacterial against both Escherichia coli Staphylococcus aureus. The results showed effectively generates superoxide radicals hydroxyl under irradiation, resulting activity. In addition, can also be applied photo-Fenton-like reaction, achieving high performance degradation sulfamethoxazole (SMX), typical antibiotic, via activation peroxymonosulfate (PMS). These shed new on fabrication metal-free nanozymes their disinfection water decontamination.

Язык: Английский

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Nucleation and growth mechanism of hexagonal boron nitride on metal borides surfaces: A combined theoretical and experimental study

Applied Surface Science, Год журнала: 2024, Номер unknown, С. 161837 - 161837

Опубликована: Ноя. 1, 2024

Язык: Английский

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Template assisted assembly and diffusion of Cu on biphase Fe2O3(0001)

Applied Surface Science, Год журнала: 2024, Номер unknown, С. 162227 - 162227

Опубликована: Дек. 1, 2024

Язык: Английский

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