{"title":"原位生长的掺锌石墨烯基薄膜的纳米结构和自清洁性能的 TEM 和 DFT 计算","authors":"","doi":"10.1016/j.vacuum.2024.113653","DOIUrl":null,"url":null,"abstract":"<div><p>Graphene, g-C<sub>3</sub>N<sub>4</sub>/graphene (NG), CF<sub>2</sub>-modified g-C<sub>3</sub>N<sub>4</sub>/graphene (FNG) films were <em>in situ</em> grown on roving fabric via PECVD, in which Zinc nanoparticles (Zn-NPs) acted as an enhancer integrated by a following chemical method. The nanostructures were revealed by high-resolution TEM, the self-cleaning performance in Zn(NO<sub>3</sub>)<sub>2</sub> solution was evaluated, and the interaction model was established with DFT calculation. Results show that the NG@Zn-NPs film presents tightly bound zinc nanoparticles, which are stacked with the NG; whereas the FNG@Zn-NPs film is enriched with the F atoms, which alleviate stacking structure and improves bonding force of Zn-NPs with the FNG surface. The heavy metal ions are efficiently precipitated through the NG@Zn-NPs and FNG@Zn-NPs films. Moreover, the superhydrophobicity of FNG@Zn-NPs film is enhanced by the charge density around the CF<sub>2</sub> functional groups, which further improves self-cleaning performance.</p></div>","PeriodicalId":23559,"journal":{"name":"Vacuum","volume":null,"pages":null},"PeriodicalIF":3.8000,"publicationDate":"2024-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"TEM and DFT calculation on the nanostructure and self-cleaning performance of in-situ grown Zn-doped graphene-based films\",\"authors\":\"\",\"doi\":\"10.1016/j.vacuum.2024.113653\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Graphene, g-C<sub>3</sub>N<sub>4</sub>/graphene (NG), CF<sub>2</sub>-modified g-C<sub>3</sub>N<sub>4</sub>/graphene (FNG) films were <em>in situ</em> grown on roving fabric via PECVD, in which Zinc nanoparticles (Zn-NPs) acted as an enhancer integrated by a following chemical method. The nanostructures were revealed by high-resolution TEM, the self-cleaning performance in Zn(NO<sub>3</sub>)<sub>2</sub> solution was evaluated, and the interaction model was established with DFT calculation. Results show that the NG@Zn-NPs film presents tightly bound zinc nanoparticles, which are stacked with the NG; whereas the FNG@Zn-NPs film is enriched with the F atoms, which alleviate stacking structure and improves bonding force of Zn-NPs with the FNG surface. The heavy metal ions are efficiently precipitated through the NG@Zn-NPs and FNG@Zn-NPs films. Moreover, the superhydrophobicity of FNG@Zn-NPs film is enhanced by the charge density around the CF<sub>2</sub> functional groups, which further improves self-cleaning performance.</p></div>\",\"PeriodicalId\":23559,\"journal\":{\"name\":\"Vacuum\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":3.8000,\"publicationDate\":\"2024-09-14\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Vacuum\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0042207X24006997\",\"RegionNum\":2,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"MATERIALS SCIENCE, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Vacuum","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0042207X24006997","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
摘要
通过 PECVD 在粗纱织物上原位生长了石墨烯、g-C3N4/石墨烯（NG）、CF2 改性 g-C3N4/ 石墨烯（FNG）薄膜。通过高分辨率 TEM 揭示了纳米结构，评估了在 Zn(NO3)2 溶液中的自清洁性能，并通过 DFT 计算建立了相互作用模型。结果表明，NG@Zn-NPs 膜呈现出紧密结合的锌纳米颗粒，与 NG 堆叠在一起；而 FNG@Zn-NPs 膜富含 F 原子，缓解了堆叠结构，提高了 Zn-NPs 与 FNG 表面的结合力。重金属离子可通过 NG@Zn-NPs 和 FNG@Zn-NPs 薄膜有效析出。此外，FNG@Zn-NPs 膜的超疏水性因 CF2 功能基团周围的电荷密度而增强，从而进一步提高了自清洁性能。
TEM and DFT calculation on the nanostructure and self-cleaning performance of in-situ grown Zn-doped graphene-based films
Graphene, g-C3N4/graphene (NG), CF2-modified g-C3N4/graphene (FNG) films were in situ grown on roving fabric via PECVD, in which Zinc nanoparticles (Zn-NPs) acted as an enhancer integrated by a following chemical method. The nanostructures were revealed by high-resolution TEM, the self-cleaning performance in Zn(NO3)2 solution was evaluated, and the interaction model was established with DFT calculation. Results show that the NG@Zn-NPs film presents tightly bound zinc nanoparticles, which are stacked with the NG; whereas the FNG@Zn-NPs film is enriched with the F atoms, which alleviate stacking structure and improves bonding force of Zn-NPs with the FNG surface. The heavy metal ions are efficiently precipitated through the NG@Zn-NPs and FNG@Zn-NPs films. Moreover, the superhydrophobicity of FNG@Zn-NPs film is enhanced by the charge density around the CF2 functional groups, which further improves self-cleaning performance.
期刊介绍：
Vacuum is an international rapid publications journal with a focus on short communication. All papers are peer-reviewed, with the review process for short communication geared towards very fast turnaround times. The journal also published full research papers, thematic issues and selected papers from leading conferences.
A report in Vacuum should represent a major advance in an area that involves a controlled environment at pressures of one atmosphere or below.
The scope of the journal includes:
1. Vacuum; original developments in vacuum pumping and instrumentation, vacuum measurement, vacuum gas dynamics, gas-surface interactions, surface treatment for UHV applications and low outgassing, vacuum melting, sintering, and vacuum metrology. Technology and solutions for large-scale facilities (e.g., particle accelerators and fusion devices). New instrumentation ( e.g., detectors and electron microscopes).
2. Plasma science; advances in PVD, CVD, plasma-assisted CVD, ion sources, deposition processes and analysis.
3. Surface science; surface engineering, surface chemistry, surface analysis, crystal growth, ion-surface interactions and etching, nanometer-scale processing, surface modification.
4. Materials science; novel functional or structural materials. Metals, ceramics, and polymers. Experiments, simulations, and modelling for understanding structure-property relationships. Thin films and coatings. Nanostructures and ion implantation.
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