Fullerenes, Nanotubes and Carbon Nanostructures最新文献

{"title":"Is triple crossed C ₂₈ cyclic polyyne cluster a stable conformation?","authors":"Carmen E. Stoenoiu, Mihai V. Putz, Lorentz Jäntschi","doi":"10.1080/1536383x.2023.2261573","DOIUrl":"https://doi.org/10.1080/1536383x.2023.2261573","url":null,"abstract":"AbstractPolyynes sometimes referred to as oligoynes or carbinoids, and their resonance cumulene form are valuable precursors to a whole series of more complex organic derivatives. Motivated by a series of studies that explore the stabilization of polyynes, in different ways, the possibility of their stabilization through the formation of crossed cycles is explored in this article. It is easy to notice that the cyclic conformations represent a special case, in that they possess an increased symmetry. The stability of the polyene molecule can be enhanced by building cross-clusters. In this article, the molecular modeling tools were employed in order to provide insights about the construction and stability of 3C28 triple crossed C28 cyclic polyyne cluster. It has been shown that C28 and 3C28 triple crossed C28 are very similar energetically. HOMO–LUMO gap suggests a metallic conductivity. The angles between the planes of the molecular rings shows almost an axial alignment of the rings. A symmetry-constrained optimization was conducted using Z-matrix internal coordinates and Gaussian software, and it revealed that the geometrical conformation of C28 polyyne as triple crossed cluster is a stable conformation, since in all investigated scenarios the convergence is assured and it is to nearly optimum local points.Keywords: Polyynesmolecular clustersdensity functional theory (DFT) AcknowledgmentsHelp from the reviewers in improving the work was highly appreciated. This contribution was submitted and presented in behalf of NANOMOD (2023): NANO-SCI(ENCE) & NANO-TECH(NOLOGY) MANAGEMENT IN THE DIGITAL AND ARTIFICIAL INTELLIGENT ERA, Research International Workshop – Third Edition, Hosted by SIM 2023: REINVENTING MANAGEMENT IN TURBULENT TIMES, 20–21 October 2023, Timisoara, Romania.Author contributionsC.E.S.: formal analysis, investigation, resources, validation, writing—review and editing; M.V.P.: writing—original draft preparation; L.J.: conceptualization, drawings, methodology, supervision.Disclosure statementNo potential conflict of interest was reported by the authors.Data availability statementAppendix A.3 contains atoms coordinates for 3C28(3×) cluster. Appendices A.4 and A.5 contain optimization output from symmetry constrained optimization of 3C28(3×) cluster (Appendix A.4 for ab initio and Appendix A.5 for DFT).Additional informationFundingThis research received no external funding.","PeriodicalId":12574,"journal":{"name":"Fullerenes, Nanotubes and Carbon Nanostructures","volume":"1984 12","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135635579","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Investigation of microwave-absorbing properties of aligned polyaniline/multi-walled carbon nanotubes nanocomposites","authors":"Zhaonan Sun, Fanghui Wang, Linghan Kong","doi":"10.1080/1536383x.2023.2264994","DOIUrl":"https://doi.org/10.1080/1536383x.2023.2264994","url":null,"abstract":"AbstractA aligned polyaniline/carbon nanotubes (a-PANI/CNTs) nanocomposite was synthesized by in situ polymerization. The structural and the microwave-absorbing properties of the a-PANI/CNTs nanocomposites were studied. Transmission electron microscopy, X-ray diffraction and Raman spectra were carried out to confirm the formation of a vertically grown PANI array on the surface of the CNTs. With a matching thickness of 1.5 mm, the a-PANI/CNTs had a maximum reflection loss of about −29.49 dB. Moreover, the bandwidth corresponding to reflection loss below −10 dB was about 4.42 GHz (13.58 GHz to 18.00 GHz), which is significantly better than those of CNTs, PANI and PANI/CNTs. We ascribed the enhanced microwave-absorbing properties to the unique ordered structure of aligned PANI.Keywords: Aligned PANIcarbon nanotubesnanocompositesmicrowave-absorbing properties Disclosure statementNo potential conflict of interest was reported by the authors.Additional informationFundingThis work is supported by the program of “Feasibility study of on-site smoke purification for electrical fire incidents” by China Fire And Rescue Institute (No. XFKYB202310).","PeriodicalId":12574,"journal":{"name":"Fullerenes, Nanotubes and Carbon Nanostructures","volume":"7 2","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136376839","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhancement effect of multiwalled carbon nanotubes on mortars prepared with different grades of recycled fine aggregates","authors":"Yifan Jiang, Guifeng Liu, Zhengfa Chen, Qifeng Lyu","doi":"10.1080/1536383x.2023.2272692","DOIUrl":"https://doi.org/10.1080/1536383x.2023.2272692","url":null,"abstract":"","PeriodicalId":12574,"journal":{"name":"Fullerenes, Nanotubes and Carbon Nanostructures","volume":"31 4","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"134908878","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Facile synthesis of NiAl-LDH/Ag/g-C ₃ N ₄ ternary composite for photocatalytic degradation of methylene blue","authors":"Muhammad Usman, Khurram Imran Khan, Muhammad Adnan, Ahsan Khan","doi":"10.1080/1536383x.2023.2273420","DOIUrl":"https://doi.org/10.1080/1536383x.2023.2273420","url":null,"abstract":"AbstractThe use of organic dyes has surged across industries like textiles, plastics, and construction. Contaminated water with these dyes is released into the environment, endangering both humans and ecosystems. In this research, we synthesized ternary composites of NiAl-LDH/Ag/g-C3N4 using hydrothermal methods. We conducted a comprehensive examination of the prepared catalysts, employing various analytical techniques to assess their structural, optical, morphological, and surface chemical properties. The surface area analysis confirmed a mean pore volume of 0.245 cm³/g, a favorable surface area of 36.4 cm2/g, and a pore diameter of 2.68 nm. The creation of strong interfacial contact between NiAL LDH, Ag, and g-C3N4 caused the charges to be separated for a long time. The degradation of methylene blue (MB) dye under the influence of solar light was used to test the photocatalytic performance of the as-prepared catalyst. A set of reusability experiments was carried out over four cycles using the photocatalyst, and the characterization findings demonstrated that the preservation of crystalline planes plays a pivotal role in achieving its high efficiency. Notably, a remarkable 99.1% reduction in chemical oxygen demand (% COD) was achieved for MB. Additionally, scavenger studies were undertaken to identify the primary reactive species involved in the process. The maximum degradation efficiency of 99.60%, with the highest R2 value of 0.9921 was achieved for the photocatalytic degradation of MB respectively in 160 min. These results indicated that the new z-scheme ternary photocatalyst can be used as an efficient, green, effective, and recyclable for the photocatalytic degradation of organic pollutants.Keywords: Photocatalysislayered double hydroxide (LDH)NiAl-LDH/Ag/g-C3N4Z-schemedye degradation Disclosure statementNo potential conflict of interest was reported by the author(s).","PeriodicalId":12574,"journal":{"name":"Fullerenes, Nanotubes and Carbon Nanostructures","volume":"35 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136376678","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Influence of carbon graphene flakes enriched PCM on partial charging conditions for cool thermal energy storage system applications","authors":"Malarmannan Subramaniyan, Chandrasekaran Ponnusamy","doi":"10.1080/1536383x.2023.2273417","DOIUrl":"https://doi.org/10.1080/1536383x.2023.2273417","url":null,"abstract":"","PeriodicalId":12574,"journal":{"name":"Fullerenes, Nanotubes and Carbon Nanostructures","volume":"11 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"134908308","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Application of the trinary discretization method for the structural analysis of natural disordered sp ² carbon","authors":"Igor V. Antonets, Yevgeny A. Golubev, Vladimir I. Shcheglov","doi":"10.1080/1536383x.2023.2273416","DOIUrl":"https://doi.org/10.1080/1536383x.2023.2273416","url":null,"abstract":"","PeriodicalId":12574,"journal":{"name":"Fullerenes, Nanotubes and Carbon Nanostructures","volume":"39 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"134908401","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Solid state debromination of C ₆₀ Br ₂₄ back to C ₆₀ with cesium iodide: kinetics, thermodynamics and mechanism","authors":"Ransel Barzaga, D. Aníbal García-Hernández, Arturo Manchado, Franco Cataldo","doi":"10.1080/1536383x.2023.2273978","DOIUrl":"https://doi.org/10.1080/1536383x.2023.2273978","url":null,"abstract":"AbstractThe bromofullerene C60Br24 undergoes a complete and quantitative debromination to C60 when it is mixed and ground in the solid state with cesium iodide (CsI). The kinetics of this unique solid state debromination reaction was studied with FT-IR spectroscopy on C60Br24 embedded in CsI pellet. The debromination rate constant was measured k = 8.4 x 10−4 s−1 and found independent from the C60Br24 concentration. Chemical thermodynamics calculations show that the C60Br24 debromination in CsI matrix is characterized by a largely favorable free energy of reaction (ΔGr) and the reaction is exothermal. A debromination mechanism is discussed in terms of concerted elimination of the bromide anions and formation of carbocations on the fullerene cage in agreement with the E1 type elimination reaction mechanism. The carbocations sites are reduced to radicals and stabilized as trivinylmethyl radicals (the reduction occurs by the action of iodide ions of CsI which are oxidized to molecular iodine) and then a rearrangement of the double bonds leads back to C60 quantitatively.Keywords: BromofullereneC60Br24solid state debrominationcaesium iodidekineticschemical thermodynamicsdebromination mechanism Disclosure statementNo potential conflict of interest was reported by the author(s).Additional informationFundingWe acknowledge support from State Research Agency (AEI) of the Spanish Ministry of Science and Innovation (MICINN) under grant PID2020-115758GB-I00. This article is based upon work from COST Action NanoSpace, CA21126, supported by COST (European Cooperation in Science and Technology).","PeriodicalId":12574,"journal":{"name":"Fullerenes, Nanotubes and Carbon Nanostructures","volume":"8 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135273285","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Facile synthesis of high-density and vertically aligned carbon nanotube arrays on an acid treated stainless steel mesh","authors":"Yu Jiang, Jun Jie Cao, Yu Zhang, Jian Nong Wang","doi":"10.1080/1536383x.2023.2270591","DOIUrl":"https://doi.org/10.1080/1536383x.2023.2270591","url":null,"abstract":"AbstractDirectly growing vertically aligned carbon nanotube arrays (VACNTs) on conductive substrates has shown great potential in a wide variety of applications. Among the various substrates, stainless steel (SS) possesses the advantageous features of wide availability, diverse compositions, and Fe containing, all of which are favorable for direct use as a low-cost and efficient catalytic substrate for VACNT growth. However, it is still unachieved to grow high-density VACNTs on SS in a facile way due to the lack of effective engineering strategies on the SS surface. Herein, we demonstrate a facile but efficient method to grow dense and highly VACNTs on an SS mesh by simply etching the SS mesh with an optimized HCl solution. Experimental results show that the etching can remove the chromium-rich passive layer and create highly active sites for chemical vapor deposition. In addition, it is revealed that the presence of the high-melting element of Mo in SS 316 is essential for prolonging the lifetime of active sites. Compared to the case on the SS 304 without Mo element, the VACNTs grown on SS 316 exhibit a higher purity, better alignment, higher degree of graphitization, and more importantly, large height of 80 μm.Keywords: Carbon nanotubesaligned arraysstainless steeletchingchemical vapor deposition Disclosure statementNo potential conflict of interest was reported by the authors.Data availability statementThe authors confirm that the data supporting the findings of this study are available within the article and its supplementary materials.Additional informationFundingThis work was supported by National Key R&D Program of China (2022YFA1200075, 2018YFA0208404), National Natural Science Foundation of China (52172089), and Innovation Program of Shanghai Municipal Education Commission.","PeriodicalId":12574,"journal":{"name":"Fullerenes, Nanotubes and Carbon Nanostructures","volume":"31 3","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135463097","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Influence mechanism of dispersion and agglomeration characteristics of micron/nano carbon dust on its combustion kinetics and explosion process","authors":"Jie Mu, Qifu Bao, Shenghua Wang, Jianmiao Zhu, Xuesheng Li, Bo Jia, Xuefan Chen, Taosong Liu","doi":"10.1080/1536383x.2023.2267707","DOIUrl":"https://doi.org/10.1080/1536383x.2023.2267707","url":null,"abstract":"AbstractDue to the widespread use of lithium-ion batteries, evaluations of the flammability and explosive characteristics of carbon dust materials as anodes require attention. Carbon dust often reaches the micron/nano scale, and dust particle state and explosion risk generated in different industrial scenarios are different, which is in urgent need of research. Nanoscale dust has relatively static coagulation properties and shows characteristics of dispersion and reagglomeration under a certain airflow. The particle size characteristics affect its thermodynamic characteristics and various consequence parameters of dust explosion. The oxidation and combustion characteristics are mainly affected by dust particle size distribution characteristics. The apparent activation energy is mainly affected by the proportion of small and medium-sized particles and pre-exponential index factor is mainly affected by the dust overall average particle size and specific surface area. The explosion consequence parameters are affected by the thermodynamic parameters, by the disturbance state, particle distribution degree of dust cloud and other factors, which affect the heat radiation and heat transfer process to some extent resulting in different explosion consequence parameters. Due to the agglomeration characteristics of nano-level dust, the minimum ignition energy and minimum ignition temperature of nano-level dust are generally smaller than that of micron level dust.Keywords: Carbon dustparticle characteristicsthermodynamic parameterexplosion parametersdispersion and agglomeration AcknowledgmentsThe authors gratefully acknowledge the financial support from the Joint Funds of the Zhejiang Provincial Natural Science Foundation of China, the “Pioneer” and “Leading Goose” R&D Program of Zhejiang, Key Laboratory of Safety Engineering and Technology Research of Zhejiang Province, the Key Research and Development Program of Zhejiang Province and the Public Projects of Zhejiang Province of China .CRediT authorship contribution statementJie Mu: Conceptualization, Funding acquisition, Writing-original draft. Qifu Bao: Writing-review & editing. Shenghua Wang: Conceptualization, Data curation. Xuesheng Li: Resources, Data processing. Jianmiao Zhu: Investigation, Formal analysis. Bo Jia: Project administration, Supervision, Review & editing. Xuefan Chen: Data test. Taosong Liu: Validation, Visualization.Disclosure statementThe authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this article.Additional informationFundingThis work was supported by the Joint Funds of the Zhejiang Provincial Natural Science Foundation of China (NO. LQQ20E040001), the “Pioneer” and “Leading Goose” R&D Program of Zhejiang (NO. 2022C03162), Key Laboratory of Safety Engineering and Technology Research of Zhejiang Province (No. 202207), the Key Research and Development Program of Zhejiang Province (","PeriodicalId":12574,"journal":{"name":"Fullerenes, Nanotubes and Carbon Nanostructures","volume":"46 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135730451","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Hydrothermal carbonization of biomass: a commentary","authors":"Aiman Hakin Supee, Muhammad Abbas Ahmad Zaini","doi":"10.1080/1536383x.2023.2270089","DOIUrl":"https://doi.org/10.1080/1536383x.2023.2270089","url":null,"abstract":"AbstractHydrothermal carbonization (HTC) is a thermochemical conversion method to upgrade the raw biomass into carbon-rich material, which is known as hydrochar. This commentary will focus on the applications of hydrochar in wastewater treatment. Hydrochar has been widely used as an adsorbent for the removal of water pollutants; however, owing to its poor porous texture and small surface area, it is usually converted through an activation process, which yields an activated carbon with superior physicochemical properties and adsorption capacities. While HTC is proven to be beneficial, the current limitations of HTC as a pretreatment prior to activated carbon production are also incorporated to provide insight into its usage during the activation process.Keywords: Activated carbonAdsorbentHydrocharHydrothermal carbonizationOxygenated functional groupsWater pollutant Disclosure statementAuthors have no conflict of interest to disclose.Additional informationFundingThis work was partly funded by UTM ICONIC No. 09G54 and Ministry of Higher Education, Malaysia.","PeriodicalId":12574,"journal":{"name":"Fullerenes, Nanotubes and Carbon Nanostructures","volume":"9 1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135779701","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}