Carbon TrendsPub Date : 2026-01-01Epub Date: 2025-11-26DOI: 10.1016/j.cartre.2025.100597
Mohammad Abushuhel , Ramin Javahershenas , Rekha M. M , Shaker Al-Hasnaawei , Kattela Chennakesavulu , Renu Sharma , Aashna Sinha
{"title":"Magnetic carbon nanotube-enhanced imidazolium ionic liquid (CNTs-ZnFe2O4-IL); A novel catalyst for selective oxidation of benzyl alcohol to benzaldehyde","authors":"Mohammad Abushuhel , Ramin Javahershenas , Rekha M. M , Shaker Al-Hasnaawei , Kattela Chennakesavulu , Renu Sharma , Aashna Sinha","doi":"10.1016/j.cartre.2025.100597","DOIUrl":"10.1016/j.cartre.2025.100597","url":null,"abstract":"<div><div>This work reports a multifunctional nanocatalyst, CNTs-ZnFe₂O₄-IL, designed for efficient, selective, and magnetically recoverable oxidation of alcohols to aldehydes. The catalyst integrates zinc ferrite (ZnFe₂O₄) nanoparticles onto carboxyl-functionalized carbon nanotubes (CNTs) and immobilizes them with an imidazolium-based ionic liquid. Characterization by XRD, FTIR, TEM, TGA, VSM, SEM-EDX, and BET confirms successful synthesis and the advantageous architecture: magnetic ZnFe₂O₄ facilitates easy magnetic separation, CNTs provide high surface area and improved nanoparticle dispersion, and the ionic liquid layer offers unique solvating and activating properties that enhance catalysis. Catalytic performance was demonstrated in the selective oxidation of benzyl alcohol to benzaldehyde using tert‑butyl hydroperoxide (TBHP) as a green oxidant. At 50 °C, the catalyst delivered exceptionally high yields (90–97 %) across a broad substrate scope of 21 substituted benzyl alcohols, displaying strong functional group tolerance and high selectivity toward aldehyde without over-oxidation to benzoic acid. The magnetic nature enables straightforward recovery, and the catalyst-maintained activity and selectivity over six consecutive reuse cycles with negligible performance loss. CNTs-ZnFe₂O₄-IL offers a sustainable, cost-effective protocol for aerobic oxidations, aligning with green chemistry principles by eliminating solvents, minimizing waste, and enabling easy catalyst recycling.</div></div>","PeriodicalId":52629,"journal":{"name":"Carbon Trends","volume":"22 ","pages":"Article 100597"},"PeriodicalIF":3.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145694265","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}
Carbon TrendsPub Date : 2026-01-01Epub Date: 2025-11-17DOI: 10.1016/j.cartre.2025.100592
Tooran Tavangar, Nick A Eaves
{"title":"Evidence of plasma-driven nonequilibrium chemistry in graphene formation from gas-phase kinetic modeling","authors":"Tooran Tavangar, Nick A Eaves","doi":"10.1016/j.cartre.2025.100592","DOIUrl":"10.1016/j.cartre.2025.100592","url":null,"abstract":"<div><div>Graphene can be synthesized entirely in the gas phase within microwave-assisted reactors operating at atmospheric pressure. Although these systems are sustained by plasmas with extremely high local temperatures, graphene formation occurs downstream where chemical kinetics govern molecular growth. A one-dimensional plug-flow model coupled with a sectional aerosol framework is used to evaluate how different detailed gas-phase chemical mechanisms influence graphene formation from an ethanol precursor. Five mechanisms commonly used for polycyclic aromatic hydrocarbon (PAH) chemistry—ABF, DLR, CALTECH, KAUST, and CRECK—are compared with experimental measurements of graphene yield and Feret diameter. The mechanisms predict very different onsets of graphene formation. Notably, the KAUST mechanism, despite its unrealistic assumption of irreversible PAH growth, reproduces experimental trends most closely. This outcome suggests that the plasma environment maintains a chemically frozen state where large PAHs behave as effectively irreversible species. Comparison between kinetic and equilibrium calculations confirms that PAH concentrations in the post-plasma region exceed equilibrium predictions by 18–20 orders of magnitude. Because the model itself does not include plasma physics, this kinetic–equilibrium disparity provides indirect, but not exclusive, evidence that plasma-driven processes push the system far from chemical equilibrium and enable the rapid molecular growth required for graphene formation. These findings explain why equilibrium models fail to predict graphene synthesis and demonstrate that model discrepancies can expose hidden nonequilibrium mechanisms.</div></div>","PeriodicalId":52629,"journal":{"name":"Carbon Trends","volume":"22 ","pages":"Article 100592"},"PeriodicalIF":3.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145694264","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}
Carbon TrendsPub Date : 2026-01-01Epub Date: 2025-12-13DOI: 10.1016/j.cartre.2025.100604
Austin Bryan, Sean Drewry, Christian Isaacs, Mitchell Trotsky, Bernadette Cladek, Nathan Stewart, Jack Davis, Stephen Young, Damiano Baccarella, Katharine Page, Dayakar Penumadu
{"title":"Multiscale structural evolution and permeability in a commercial carbon/carbon composite under arc-jet ablation","authors":"Austin Bryan, Sean Drewry, Christian Isaacs, Mitchell Trotsky, Bernadette Cladek, Nathan Stewart, Jack Davis, Stephen Young, Damiano Baccarella, Katharine Page, Dayakar Penumadu","doi":"10.1016/j.cartre.2025.100604","DOIUrl":"10.1016/j.cartre.2025.100604","url":null,"abstract":"<div><div>Linking the complex mechanisms of ablation with resulting structural and property changes of carbon/carbon (C/C) composites remains challenging. This work utilizes an integrated experimental framework that connects ablation induced structural changes with transport behavior, including permeability, which has not been previously examined in ablative contexts. The multiscale structural evolution and transport behavior of a commercially available C/C were evaluated in a virgin state and after ablation with HyperMATE, a novel quasi-continuous arc-jet plasma torch. The material was characterized using optical and electron microscopy, <span><math><mi>μ</mi></math></span>-X-ray computed tomography, capillary flow porometry, Raman spectroscopy, and X-ray diffraction. Ablation preferentially removed matrix carbon at the surface and denudated fibers into needle shapes. The void fraction increased from 5.29% (virgin) to 9.26% (ablated), driven by collapse of large pores into finer ones and the opening of surface defects into connected pathways. These structural changes created new gas transport channels resulting in an approximately one order-of-magnitude increase in through-thickness permeability, and also disrupted solid conduction pathways, contributing to reduced thermal conductivity. At the atomic scale, ablation induced defects in the turbostratic structure, indicated by asymmetric (002) reflection in XRD. The permeability increase is primarily attributed to meso-macro scale structural changes in the material, and the reduced thermal properties result from the coupled effects of changes at the meso-macro and atomic scales. By employing a commercially available material, this work provides broadly applicable insights into the multiscale mechanisms by which ablation modifies structure and degrades macroscopic transport properties.</div></div>","PeriodicalId":52629,"journal":{"name":"Carbon Trends","volume":"22 ","pages":"Article 100604"},"PeriodicalIF":3.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145790524","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}
Carbon TrendsPub Date : 2026-01-01Epub Date: 2025-12-12DOI: 10.1016/j.cartre.2025.100603
Fatemeh Jamali , Majid Seifi , Mohammad Bagher Askari
{"title":"CoNi₂O₄/MWCNT: A promising anode catalyst for direct alcohol fuel cells","authors":"Fatemeh Jamali , Majid Seifi , Mohammad Bagher Askari","doi":"10.1016/j.cartre.2025.100603","DOIUrl":"10.1016/j.cartre.2025.100603","url":null,"abstract":"<div><div>This study presents a highly efficient bifunctional electrocatalyst, CoNi₂O₄/MWCNT, comprising porous cobalt-nickel binary oxide (CoNi₂O₄) uniformly integrated with multi-walled carbon nanotubes (MWCNT), designed for anodic methanol and ethanol oxidation in direct alcohol fuel cells (DAFCs). The porous CoNi₂O₄ was synthesized through a simple, one-step hydrothermal route. Detailed physicochemical characterization confirmed its spinel structure, high surface area, and intimate interfacial contact with the MWCNT support. Electrochemical evaluations revealed excellent catalytic performance, delivering peak current densities of approximately 130 mA.cm⁻² for methanol oxidation and 48 mA.cm⁻² for ethanol oxidation at a scan rate of 100 mV.s⁻¹. The composite also demonstrated remarkable long term stability, retaining 93.5% and 89.9% of its initial activity after 1000 cyclic voltammetry cycles for methanol and ethanol oxidation, respectively. Tafel slopes of 90.4 mV.dec⁻¹ (methanol) and 74.9 mV.dec⁻¹ (ethanol) indicate fast charge transfer kinetics, comparable to or surpassing many state of the art noble metal free catalysts. This work introduces a scalable, noble metal free catalyst that simultaneously achieves high activity and exceptional durability for both methanol and ethanol oxidation, offering a promising and cost effective alternative to platinum-based anodes in practical DAFC systems. These results highlight the potential of CoNi₂O₄/MWCNT as a high performance, durable anode material for next-generation direct alcohol fuel cells.</div></div>","PeriodicalId":52629,"journal":{"name":"Carbon Trends","volume":"22 ","pages":"Article 100603"},"PeriodicalIF":3.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145924888","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}
Carbon TrendsPub Date : 2026-01-01Epub Date: 2025-12-02DOI: 10.1016/j.cartre.2025.100598
Aisuluu Aitkulova, Markus Gabrysch, Saman Majdi, Nattakarn Suntornwipat, Jan Isberg
{"title":"Temperature dependence of charge transport in single-layer graphene on surface-terminated diamond","authors":"Aisuluu Aitkulova, Markus Gabrysch, Saman Majdi, Nattakarn Suntornwipat, Jan Isberg","doi":"10.1016/j.cartre.2025.100598","DOIUrl":"10.1016/j.cartre.2025.100598","url":null,"abstract":"<div><div>The integration of single-layer graphene with diamond substrates offers a promising platform for high-performance electronic devices by utilizing the exceptional properties of both materials. This study describes a fabrication process and transport measurements of single-layer graphene devices on diamond substrates featuring two surface terminations: hydrogen (H-terminated, thermal process) and oxygen (O-terminated, plasma treatment). The carrier transport properties were investigated using Hall effect measurements over a broad temperature range (80–400 K) under high-vacuum conditions (<span><math><mrow><mn>1</mn><mo>×</mo><mn>1</mn><msup><mrow><mn>0</mn></mrow><mrow><mo>−</mo><mn>4</mn></mrow></msup></mrow></math></span> mbar). Our findings reveal that thermal annealing significantly improves the graphene-diamond interface quality, causing a notable increase in carrier mobility for devices on both H- and O-terminated from 1439 to 1644 cm<span><math><mrow><msup><mrow></mrow><mrow><mn>2</mn></mrow></msup><mo>/</mo></mrow></math></span>Vs and from 1238 to 1340 cm<span><math><mrow><msup><mrow></mrow><mrow><mn>2</mn></mrow></msup><mo>/</mo></mrow></math></span>Vs, respectively. We also found that the effect of remote interfacial phonon scattering on high-temperature mobility is affected by the termination type. These findings highlight the importance of substrate surface engineering and offer a pathway for optimizing graphene-diamond heterostructures for advanced electronic applications.</div></div>","PeriodicalId":52629,"journal":{"name":"Carbon Trends","volume":"22 ","pages":"Article 100598"},"PeriodicalIF":3.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145738103","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}
Carbon TrendsPub Date : 2025-12-01Epub Date: 2025-08-19DOI: 10.1016/j.cartre.2025.100564
A. C. Piñón Reyes , M. Salazar Villanueva
{"title":"Adsorption of CO, CO2 and NO2 onto nanographenes (NGs), anchored systems as NG−(ZnO)n n = 1-6: An ab initio molecular dynamics calculations","authors":"A. C. Piñón Reyes , M. Salazar Villanueva","doi":"10.1016/j.cartre.2025.100564","DOIUrl":"10.1016/j.cartre.2025.100564","url":null,"abstract":"<div><div>To assess the chemical interaction between different gases and functionalized semiconductor clusters, DFT (Density functional theory) simulations were performed.</div><div>For this work the primary objective is to understand the behavior of nanographenes NGs →C (carbon atoms) functionalized with a cluster of zinc oxide (ZnO)<sub>n</sub> of different sizes <em>n</em> = 1-6, to understand the effects of smallest clusters, hence it is important to stablish the adsorption tendency at first stages. This first step is the basis for evaluating the chemical interaction between CO, CO<sub>2</sub>, and NO<sub>2</sub> with functionalized semiconductor clusters. The objective is to study changes in adsorption trends, considering different gases and clusters sizes.</div><div>The adsorption energy values for C-(ZnO)<sub>2</sub>-CO, C-ZnO-CO<sub>2</sub> and C-ZnO-NO<sub>2</sub> are -0.195 eV, -0.543 eV and -3.042 eV respectively, which is related to the results of lower average length distance A.B.L. obtained between the atoms of the species studied (distance of Zn atom to CO, CO<sub>2</sub> and NO<sub>2</sub>). Due to the active sites, there is presence of a chemisorption in C-ZnO-NO<sub>2</sub> system, but in C-(ZnO)<sub>2</sub>-CO and C-ZnO-CO<sub>2</sub> present physisorption. The electron gap values do not vary significantly for <em>n</em> = 3-6 and the HOMO-LUMO isosurfaces are depicted for all systems. The electron transfer at the adsorption sites is directed from the chemical species toward the CO, CO<sub>2</sub>, and NO<sub>2</sub> in all the systems analyzed. Based on these findings, C-(ZnO)<sub>2</sub>-CO, C-ZnO-CO<sub>2</sub> and C-(ZnO)<sub>1</sub>-NO<sub>2</sub> systems are potential options for CO, CO<sub>2</sub>, and NO<sub>2</sub> gas storage, respectively. In addition, an analysis has been carried out on the behavior of larger GNs systems. These results may be useful to researchers in the potential design of a gas storage device for energy applications that are environmentally friendly.</div></div>","PeriodicalId":52629,"journal":{"name":"Carbon Trends","volume":"21 ","pages":"Article 100564"},"PeriodicalIF":3.9,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144889195","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}
Carbon TrendsPub Date : 2025-12-01Epub Date: 2025-09-30DOI: 10.1016/j.cartre.2025.100579
Howyn Tang , Chao Lu , Oltion Kodra , Jin Zhang
{"title":"Precursor effects on surface functionalization, photoluminescence, and cytotoxicity of carbon dots synthesized via microwave-assisted methods","authors":"Howyn Tang , Chao Lu , Oltion Kodra , Jin Zhang","doi":"10.1016/j.cartre.2025.100579","DOIUrl":"10.1016/j.cartre.2025.100579","url":null,"abstract":"<div><div>Carbon dots (CDs) produced by microwave-assisted methods have been extensively used in many applications such as theranostics. The microstructures and properties of CDs are highly associated with their precursors. However, few studies have reported on the effects of precursors on functional group-associated properties of CDs. Herein, different precursors were used to produce CDs with a microwave-assisted method, namely CDs made of (1) citric acid/urea (CA/U-CDs), (2) chitosan (C<img>CDs), (3) glucose (G-CDs), and (4) spermine/glucose (SG-CDs). CDs are all negatively charged except SG-CDs which show some positive charges. The photoluminescence of the CDs was measured at excitation of 480 nm, and Fourier Transform Infrared (FTIR) spectroscopy was employed to analyze the relative proportion of functional groups on CD surfaces, with results further confirmed by X-ray photoelectron spectroscopy (XPS) analysis. The more oxygen-containing groups compared to nitrogen-containing groups CDs have, the longer the emission wavelength (λ<sub>em</sub>). In addition, the cytotoxicity of different CDs was investigated on NIH/3T3 mouse fibroblast cells. In particular, C<img>CDs improved cell growth with cell viability >100% after 24 h but decreased viability at longer incubations, likely due to increased uptake and lysosomal stress. In contrast, G-CDs exhibited stable biocompatibility over 72 h. This study demonstrates the effect of functional groups on CDs made with different precursors on their surface charge, emission, and cytotoxicity, which may provide guidance to the design and development of CDs with tunable photoluminescence and biocompatible properties.</div></div>","PeriodicalId":52629,"journal":{"name":"Carbon Trends","volume":"21 ","pages":"Article 100579"},"PeriodicalIF":3.9,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145266448","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}
Carbon TrendsPub Date : 2025-12-01Epub Date: 2025-08-08DOI: 10.1016/j.cartre.2025.100559
T. Fischer , M. Pagel , A. Kretzschmar , V. Selmert , S. Jovanovic , R. Rameker , H. Kungl , H. Tempel , R.-A. Eichel
{"title":"The impact of thermal stabilization temperature and duration on the pore structure of polyacrylonitrile-based carbon nanofibers","authors":"T. Fischer , M. Pagel , A. Kretzschmar , V. Selmert , S. Jovanovic , R. Rameker , H. Kungl , H. Tempel , R.-A. Eichel","doi":"10.1016/j.cartre.2025.100559","DOIUrl":"10.1016/j.cartre.2025.100559","url":null,"abstract":"<div><div>This work analyzes the impact of temperature and duration during thermal stabilization of polyacrylonitrile-based (PAN-based) nanofibers on the pore formation of carbon nanofibers. Two sample series at different stabilization durations (0–15 h) and temperatures (200–300 °C) were synthesized and characterized by Fourier-transform infrared spectroscopy, Raman spectroscopy, elemental analysis, solid state nuclear magnetic resonance and gas adsorption. A significant increase of the pore volume of the carbonized nanofibers from 0.039 cm³ <em>g</em><sup>−1</sup> to 0.171 cm³ <em>g</em><sup>−1</sup> was obtained for long stabilization durations (> 4 h). Similar increases up to 0.166 cm³ <em>g</em><sup>−1</sup> were obtained at high stabilization temperatures (> 250 °C). This increased pore formation was assigned to the growth of larger stabilized ladder polymers and a high incorporation of oxygen during the thermal stabilization at these conditions. Both alter the structure of the final carbon nanofibers and strongly affect the formation of pore volume during carbonization. Especially, the formation of the ultramicropore volume was found to be highly dependent on these parameters. The results show the necessity of a careful consideration of the thermal stabilization conditions for tailoring of the pore structure of PAN-based carbon nanofibers.</div></div>","PeriodicalId":52629,"journal":{"name":"Carbon Trends","volume":"21 ","pages":"Article 100559"},"PeriodicalIF":3.9,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144895832","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}
Carbon TrendsPub Date : 2025-12-01Epub Date: 2025-09-14DOI: 10.1016/j.cartre.2025.100571
Seyed Ghasem Rezvannasab , Navid Safari , Abdol Mohammad Ghaedi
{"title":"Optimizing amoxicillin photodegradation with GO/TiO₂ nanocomposites via RSM, ANN, and ANFIS","authors":"Seyed Ghasem Rezvannasab , Navid Safari , Abdol Mohammad Ghaedi","doi":"10.1016/j.cartre.2025.100571","DOIUrl":"10.1016/j.cartre.2025.100571","url":null,"abstract":"<div><div>Visible-light photocatalysis has been reported to be one of the most effective means of wastewater treatment with high removal efficiency, process simplicity, and environmental friendliness. Photocatalytic degradation of Amoxicillin (AMX) was achieved successfully with GO/TiO<sub>2</sub> nanocomposites prepared via the hydrothermal process. The prepared nanocomposites were characterized by TEM, XRD, FE-SEM, EDS, and FTIR analysis. Three modeling approaches - adaptive neuro-fuzzy inference system (ANFIS), artificial neural network (ANN), and response surface methodology (RSM) - were employed to understand the relationships between input variables and photocatalytic degradation performance. R² values of 0.9876, 0.9159, and 0.7616 were obtained for RSM, ANN, and ANFIS, respectively, which indicates that the predictive capability of RSM and ANN models was better than ANFIS. The maximum degradation of amoxicillin of 91.01 % was realized within 105 min at 0.588 mg/mL GO/TiO<sub>2</sub> dosage, initial 36 mg/L AMX concentration, and pH 5.</div></div>","PeriodicalId":52629,"journal":{"name":"Carbon Trends","volume":"21 ","pages":"Article 100571"},"PeriodicalIF":3.9,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145094811","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}
Carbon TrendsPub Date : 2025-12-01Epub Date: 2025-09-23DOI: 10.1016/j.cartre.2025.100574
Moumita Dinda, Sudipta Nayak, Arijit Bag
{"title":"Confirmation of pentavalent carbon in protonated methane (CH5+ ): Insights from Molecular Handycam Technique","authors":"Moumita Dinda, Sudipta Nayak, Arijit Bag","doi":"10.1016/j.cartre.2025.100574","DOIUrl":"10.1016/j.cartre.2025.100574","url":null,"abstract":"<div><div>The existence of pentavalent carbon has intrigued scientists since the discovery of CH<span><math><msubsup><mrow></mrow><mrow><mn>5</mn></mrow><mrow><mo>+</mo></mrow></msubsup></math></span> in 1952 but remains elusive due to the lack of definitive evidence. The present study unveils the mystery through a comprehensive investigation of the structural and bonding nature of CH<span><math><msubsup><mrow></mrow><mrow><mn>5</mn></mrow><mrow><mo>+</mo></mrow></msubsup></math></span> employing the newly developed Molecular Handycam Technique (MHT) by Bag and co-workers, focusing on its formation pathways and energetic favorability. Computational analysis at the coupled cluster theory (CCSD) level, we examine the formation of CH<span><math><msubsup><mrow></mrow><mrow><mn>5</mn></mrow><mrow><mo>+</mo></mrow></msubsup></math></span> through the association of CH<span><math><msubsup><mrow></mrow><mrow><mn>3</mn></mrow><mrow><mo>+</mo></mrow></msubsup></math></span> and H<sub>2</sub>, compared to the protonation of methane. Our findings reveal a preference for the former pathway, highlighting distinct structural configurations, including a global minimum and two alternative geometries. We demonstrate the participation of higher orbitals of carbon (3d<span><math><msub><mrow></mrow><mrow><msup><mrow><mi>z</mi></mrow><mrow><mn>2</mn></mrow></msup></mrow></msub></math></span>) and its interaction with the bond pair of the approaching H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> molecule in the formation and stabilization of the fifth C-H bond. This analytical approach provides critical insights into the expanded valency of carbon, which could lead to a new class of carbon compounds.</div></div>","PeriodicalId":52629,"journal":{"name":"Carbon Trends","volume":"21 ","pages":"Article 100574"},"PeriodicalIF":3.9,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145158078","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}