C Pub Date : 2024-08-09 DOI: 10.3390/c10030072

Haibo Ouyang, Jiaqi Liu, Cuiyan Li, Leer Bao, Tianzhan Shen, Yanlei Li

{"title":"Synthesis of Ni@SiC/CNFs Composite and Its Microwave-Induced Catalytic Activity","authors":"Haibo Ouyang, Jiaqi Liu, Cuiyan Li, Leer Bao, Tianzhan Shen, Yanlei Li","doi":"10.3390/c10030072","DOIUrl":"https://doi.org/10.3390/c10030072","url":null,"abstract":"Carbon nanomaterials are promising microwave catalytic materials due to their abundant inhomogeneous interfaces capable of producing ideal interfacial polarization and multiple relaxation, which are favorable for microwave attenuation and dissipation. However, the microwave absorption performance of carbon materials is not ideal in practical applications due to poor impedance matching and single dielectric loss. To solve this problem, a ternary system of “carbon-magnetic” Ni@SiC/CNFs (C/Ni, C/SiC) composites was synthesized by electrostatic spinning, and they efficiently degraded methylene blue under microwave radiation. The results imply that the catalyst Ni@SiC/CNFs with a double-shell structure gave a 99.99% removal rate in 90 s for the degradation of methylene blue under microwave irradiation, outperforming the C/Ni and C/SiC and most other reported catalysts in similar studies. On the one hand, the possible mechanism of the methylene blue degradation should be ascribed to the fact that the double-shell structure increases the polarization source of the material, resulting in excellent microwave absorption properties; and on the other, the in situ generation of ·OH and O2− active species under microwave radiation and the synergistic coupling effect of metal plasma greatly improved the degradation efficiency of methylene blue. The findings of this study could provide a valuable reference for the green degradation of industrial dye wastewater and its sustainable development process.","PeriodicalId":9397,"journal":{"name":"C","volume":"19 23","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141925239","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Novel Superhard Tetragonal Hybrid sp3/sp2 Carbon Allotropes Cx (x = 5, 6, 7): Crystal Chemistry and Ab Initio Studies 新型超硬四方混合 sp3/sp2 碳异构体 Cx（x = 5、6、7）：晶体化学和 Ab Initio 研究

C Pub Date : 2024-07-16 DOI: 10.3390/c10030064

Samir F. Matar, V. Solozhenko

引用次数: 0

Unveiling the Structure of Metal–Nanodiamonds Bonds: Experiment and Theory 揭示金属-纳米金刚石键的结构：实验与理论

C Pub Date : 2024-07-14 DOI: 10.3390/c10030063

D. Boukhvalov, Vladimir Yu. Osipov, A. Serikkanov, Kazuyuki Takai

{"title":"Unveiling the Structure of Metal–Nanodiamonds Bonds: Experiment and Theory","authors":"D. Boukhvalov, Vladimir Yu. Osipov, A. Serikkanov, Kazuyuki Takai","doi":"10.3390/c10030063","DOIUrl":"https://doi.org/10.3390/c10030063","url":null,"abstract":"In this study, we conducted a theoretical simulation to compare the effects of various factors on the atomic and electronic structures and the magnetic properties of copper and gadolinium ions bonded to carboxylated species of (111) diamond surfaces. It was experimentally found that in the temperature range above 120 K, the magnetic moments of chelated Gd3+ and Cu2+ equal 6.73 and 0.981 Bohr magnetons, respectively. In the temperature range from 12 to 2 K, these magnetic moments sharply decrease to 6.38 and 0.88 Bohr magnetons. Specifically, we examined the effects of the number of covalent adatom–diamond substrate bridges, coordination of water molecules, and shallow carbon-inherited spins in the substrate on the physical properties of the metal center. Our simulation predicted that increasing the number of bonds between the chelated metal ion and substrate while decreasing the number of coordinating water molecules corresponded to a decrease in the magnetic moment of metal ions in a metal–diamond system. This is due to the redistribution of the electron charge density in an asymmetric metal–diamond system. By comparing our theoretical results with experimental data, we proposed configurations involving one and, in a minor number of cases, two surface –COO− groups and maximum coordination of water molecules as the most realistic options for Cu- and Gd-complexes.","PeriodicalId":9397,"journal":{"name":"C","volume":"35 8","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141650033","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Photocatalytic N-Formylation of CO2 with Amines Catalyzed by Diethyltriamine Pentaacetic Acid 二乙基三胺五乙酸催化二氧化碳与胺的光催化 N-甲酰化反应

C Pub Date : 2024-07-11 DOI: 10.3390/c10030062

Xuexin Yuan, Qiqi Zhou, Yu Chen, Haijian Yang, Q. Jiang, Juncheng Hu, Cunyue Guo

{"title":"Photocatalytic N-Formylation of CO2 with Amines Catalyzed by Diethyltriamine Pentaacetic Acid","authors":"Xuexin Yuan, Qiqi Zhou, Yu Chen, Haijian Yang, Q. Jiang, Juncheng Hu, Cunyue Guo","doi":"10.3390/c10030062","DOIUrl":"https://doi.org/10.3390/c10030062","url":null,"abstract":"In the present work, inexpensive and commercially available diethyltriamine pentaacetic acid (DTPA) was used as an initiator to catalyze the N-formylation reaction of CO2 with amines via the construction of C-N bonds in the presence of xanthone as the photosensitizer and PhSiH3 as the reducing agent. After a systematic study of various factors, the optimal conditions for the photocatalytic reaction were obtained: 2.5 mmol of amine, 2.5 mmol of PhSiH3, 10 mol% of DTPA, 20 mol% of xanthone, 1 mL of dimethylsulfoxide (DMSO), atmospheric pressure, and 35 W UV lamp irradiation for 48 h. Under the optimal conditions, the catalyst system afforded high performance for the N-formylation of amines (primary and secondary amines) and CO2, and the yields of the N-formylated products of dialkylamines were above 70%. Further studies exhibit that the catalytic system has a wide scope of substrate applications. For various alicyclic secondary amines, heterocyclic secondary amines, aliphatic primary amines, and aromatic primary amines, the corresponding N-formylation products can be obtained efficiently. In addition, the catalyst can be recycled by simple precipitation and filtration. After five cycles of recycling, there was no significant change in the catalytic and structural properties of DTPA. Finally, a possible reaction mechanism is proposed.","PeriodicalId":9397,"journal":{"name":"C","volume":"128 3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141656493","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Enhanced Adsorption of Arsenate from Contaminated Waters by Magnesium-, Zinc- or Calcium-Modified Biochar—Modeling and Mechanisms 镁、锌或钙改性生物炭增强对受污染水体中砷酸盐的吸附--模型与机制

C Pub Date : 2024-07-10 DOI: 10.3390/c10030061

D. Vamvuka, E. Sdoukou, A. Stratakis, D. Pentari

{"title":"Enhanced Adsorption of Arsenate from Contaminated Waters by Magnesium-, Zinc- or Calcium-Modified Biochar—Modeling and Mechanisms","authors":"D. Vamvuka, E. Sdoukou, A. Stratakis, D. Pentari","doi":"10.3390/c10030061","DOIUrl":"https://doi.org/10.3390/c10030061","url":null,"abstract":"The adsorption of arsenate from wastewaters was investigated by applying Mg-, Zn- or Ca-modified nut residue biochar activated by nitrogen/steam. The parameters studied were the contact time, adsorbent dose, initial arsenate concentration and solution pH. The adsorption mechanism was investigated. Various analyses of the material before and after arsenate adsorption were carried out, and experimental data were simulated by applying two isotherm models. The results indicated that the maximum removal efficiency of arsenate was 29.4% at an initial concentration of 10 mg/L. The modification of biochar by Mg, Zn or Ca oxides increased the removal rate significantly, from 49.4% at 100 mg/L As5+ up to 8%, 97% and 97%, respectively. Zn-modified biochar presented an excellent performance for both low and high As5+ concentrations. All experimental data were accurately fitted by the Freundlich isotherm model (R2 = 0.94–0.97), confirming a multilayer adsorption mechanism. For a biochar dose of 2 g/L, the maximum capacity of adsorption was enhanced after Mg-, Zn- or Ca-modification from 12.4 mg/g to 35 mg/g, 50 mg/g and 49 mg/g, respectively. The potential mechanisms of adsorption were ligand exchange, chemical complexation, surface precipitation and electron coordination.","PeriodicalId":9397,"journal":{"name":"C","volume":"20 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141661836","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Carbon Dots for Future Prospects: Synthesis, Characterizations and Recent Applications: A Review (2019–2023) 碳点的未来前景：合成、表征和最新应用：综述（2019-2023 年）

C Pub Date : 2024-07-05 DOI: 10.3390/c10030060

H. Etefa, A. Tessema, Francis Birhanu Dejene

{"title":"Carbon Dots for Future Prospects: Synthesis, Characterizations and Recent Applications: A Review (2019–2023)","authors":"H. Etefa, A. Tessema, Francis Birhanu Dejene","doi":"10.3390/c10030060","DOIUrl":"https://doi.org/10.3390/c10030060","url":null,"abstract":"Carbon dots (CDs) have emerged as a promising class of carbon-based nanomaterials due to their unique properties and versatile applications. Carbon dots (CDs), also known as carbon quantum dots (CQDs) or graphene quantum dots (GQDs), are nanoscale carbon-based materials with dimensions typically less than 10 nanometers. They exhibit intriguing optical, electronic, and chemical properties, making them attractive for a wide range of applications, including sensing, imaging, catalysis, and energy conversion, among many others. Both bottom-up and top-down synthesis approaches are utilized for the synthesis of carbon dots, with each method impacting their physicochemical characteristics. Carbon dots can exhibit diverse structures, including amorphous, crystalline, or hybrid structures, depending on the synthesis method and precursor materials used. CDs have diverse chemical structures with modified oxygen, polymer-based, or amino groups on their surface. These structures influence their optical and electronic properties, such as their photoluminescence, bandgap, and charge carrier mobility, making them tunable for specific applications. Various characterization methods such as HRTEM, XPS, and optical analysis (PL, UV) are used to determine the structure of CDs. CDs are cutting-edge fluorescent nanomaterials with remarkable qualities such as biocompatibility, low toxicity, environmental friendliness, high water solubility, and photostability. They are easily adjustable in terms of their optical properties, making them highly versatile in various fields. CDs find applications in bio-imaging, nanomedicine, drug delivery, solar cells, photocatalysis, electrocatalysis, and other related areas. Carbon dots hold great promise in the field of solar cell technology due to their unique properties, including high photoluminescence, high carbon quantum yield (CQY), and excellent charge separation.","PeriodicalId":9397,"journal":{"name":"C","volume":" 6","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141674263","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Theoretical Studies on the Dynamical Behavior of Atom/Ion Migration on the Surface of Pristine and BN-Doped Graphene 原始石墨烯和掺杂 BN 的石墨烯表面原子/离子迁移动力学行为的理论研究

C Pub Date : 2024-07-03 DOI: 10.3390/c10030059

Tong-Kun Zhang, Li-Jun Zhou, Jian-Gang Guo

{"title":"Theoretical Studies on the Dynamical Behavior of Atom/Ion Migration on the Surface of Pristine and BN-Doped Graphene","authors":"Tong-Kun Zhang, Li-Jun Zhou, Jian-Gang Guo","doi":"10.3390/c10030059","DOIUrl":"https://doi.org/10.3390/c10030059","url":null,"abstract":"Using the potential function method, a theoretical model of the interaction was presented, and the interaction force between atoms/ions and (doped) graphene was obtained. Based on the interaction force, the dynamical control equation of atom/ion migration was derived. The dynamical behavior of atom/ion migrating on finite-size graphene surfaces along a specific direction and the regulation of boron nitride (BN) doping on the migration behavior were studied. The results show that the atoms/ions exhibit different migration mechanical behaviors due to different lateral forces inside and at the edges of the graphene surface. In addition, near the normal equilibrium height, atoms/ions are mainly affected by the lateral force, and their migration behavior is also influenced by the initial position, initial height, initial lateral velocity, etc. Furthermore, BN doping can affect the energy barrier of atom/ion migration on the graphene surface and effectively regulate the migration behavior of atoms/ions at the edge of the graphene surface. The research results can provide a theoretical reference for graphene surface localization modification and graphene-based atom/ion screening and detection.","PeriodicalId":9397,"journal":{"name":"C","volume":"73 3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141682429","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Algae Derived Carbon from Hydrothermal Liquefaction as Sustainable Carbon Electrode Material for Supercapacitor 水热液化藻类衍生碳作为超级电容器的可持续碳电极材料

C Pub Date : 2024-06-01 DOI: 10.3390/c10020051

Kingsford Asare, Abhijeet Mali, Md Faruque Hasan, Philip Agbo, Abolghasem Shahbazi, Lifeng Zhang

{"title":"Algae Derived Carbon from Hydrothermal Liquefaction as Sustainable Carbon Electrode Material for Supercapacitor","authors":"Kingsford Asare, Abhijeet Mali, Md Faruque Hasan, Philip Agbo, Abolghasem Shahbazi, Lifeng Zhang","doi":"10.3390/c10020051","DOIUrl":"https://doi.org/10.3390/c10020051","url":null,"abstract":"With the worldwide awareness of sustainability, biomass-derived carbon electrode materials for supercapacitors have attracted growing attention. In this research, for the first time, we explored the feasibility of making use of the carbon byproduct from hydrothermal liquefaction (HTL) of microalgae, termed herein as algae-derived carbon (ADC), to prepare sustainable carbon electrode materials for high-performance supercapacitor development. Specifically, we investigated carbon activation with a variety of activating reagents as well as N- and Fe-doping of the obtained ADC with the intention to enhance its electrochemical performance. We characterized the structure of the activated and doped ADCs using scanning electron microscope (SEM), Raman spectroscopy, Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), and BET surface area and pore analysis, and correlated the ADCs’ structure with their electrochemical performance as evaluated using cyclic voltammetry (CV), galvanostatic charge/discharge (GCD), impedance, and cycle stability through an assembled symmetric two-electrode cell with 1 M H2SO4 as electrolyte. It was found that the ADC that is activated using KOH (KOH-ADC) showed the best electrochemical performance, and its specific capacitance was 14.1-fold larger with respect to that of the raw ADC and reached 234.5 F/g in the GCD test at a current density of 0.5 A/g. The KOH-ADC also demonstrated excellent capacitance retention (97% after 10,000 cycles at a high current density of 10 A/g) for stable long-term operations. This research pointed out a promising direction to develop sustainable electrode materials for supercapacitors from the carbon byproduct produced after HTL processing of algae.","PeriodicalId":9397,"journal":{"name":"C","volume":"23 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141278938","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

How to Compute Whether Biomass Fuels Are Carbon Neutral 如何计算生物质燃料是否碳中和

C Pub Date : 2024-05-22 DOI: 10.3390/c10020048

G. Ahamer

{"title":"How to Compute Whether Biomass Fuels Are Carbon Neutral","authors":"G. Ahamer","doi":"10.3390/c10020048","DOIUrl":"https://doi.org/10.3390/c10020048","url":null,"abstract":"Based on recent interest and on the importance of the ongoing climate change catastrophe, this article provides the basics of global carbon cycle modelling as required for the assessment of the degree of carbon neutrality of biomass energy, and its underlying dynamics. It is aimed at clarifying the question “Are biomass fuels carbon neutral?”. The “Combined Energy and Biosphere Model” (CEBM) computes annual carbon flows including growth and decay of plants on 2.5 × 2.5° grid elements of the continents’ surface and offers detailed results on the changes of after implementation of large-scale biomass energy strategies worldwide. The main (and possibly unexpected) effect is the long-term depletion of the soil organic compartment after extraction of biomass fuels. When comparing CEBM model runs using (i) biomass energy sources and (ii) carbon-free energy sources (such as solar or wind), it becomes quantitatively clear already on the theoretical level (i.e., even without taking into account efficiency losses) that biomass is only “half as carbon neutral” as ideally assumed, to express a rule of thumb—mainly because of soil carbon depletion. Still, biomass energy will play an important role when fighting global warming, even if efforts to lower energy demand are preferable as a fundamental strategy.","PeriodicalId":9397,"journal":{"name":"C","volume":"41 4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141111207","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Evaluating the Cytotoxicity of Functionalized MWCNT and Microbial Biofilm Formation on PHBV Composites 评估功能化 MWCNT 的细胞毒性和 PHBV 复合材料上微生物生物膜的形成

C Pub Date : 2024-03-31 DOI: 10.3390/c10020033

T. L. Montanheiro, V. Schatkoski, D. E. Camarena, Thais Cardoso de Oliveira, D. M. da Silva, M. R. C. Vegian, L. Catalani, C. Y. Koga-Ito, G. Thim

{"title":"Evaluating the Cytotoxicity of Functionalized MWCNT and Microbial Biofilm Formation on PHBV Composites","authors":"T. L. Montanheiro, V. Schatkoski, D. E. Camarena, Thais Cardoso de Oliveira, D. M. da Silva, M. R. C. Vegian, L. Catalani, C. Y. Koga-Ito, G. Thim","doi":"10.3390/c10020033","DOIUrl":"https://doi.org/10.3390/c10020033","url":null,"abstract":"This study focuses on the cytotoxic evaluation of functionalized multi-walled carbon nanotubes (MWCNT) and microbial biofilm formation on poly(3-hydroxybutyrate-co-3-hydroxyvalerate) (PHBV) nanocomposites incorporating MWCNTs functionalized with gamma-aminobutyric acid (GABA) and carboxyl groups. The materials were characterized for cytotoxicity to fibroblasts and antimicrobial effects against Escherichia coli, Staphylococcus aureus and Candida albicans. The functionalization of MWCNTs was performed through oxidation (CNT-Ox) and GABA attachment (CNT-GB). The PHBV/CNT nanocomposites were produced via melt mixing. All MWCNT suspensions showed non-toxic behaviors after 24 h of incubation (viability higher than 70%); however, prolonged incubation and higher concentrations led to increased cytotoxicity. The antibacterial potential of PHBV/CNT nanocomposites against S. aureus showed a reduction in biofilm formation of 64% for PHBV/CNT-GB and 20% for PHBV/CNT-Ox, compared to neat PHBV. Against C. albicans, no reduction was observed. The results indicate promising applications for PHBV/CNT nanocomposites in managing bacterial infections, with GABA-functionalized CNTs showing enhanced performance.","PeriodicalId":9397,"journal":{"name":"C","volume":"5 4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140359762","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

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