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Search Results (1,004)

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Keywords = doped graphene

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15 pages, 1228 KiB  
Review
Antimicrobial Effect of Graphene in Dentistry: A Scoping Review
by Ricardo Martuci, Susana João Oliveira, Mateus Martuci, José Reis-Campos and Maria Helena Figueiral
Dent. J. 2025, 13(8), 355; https://doi.org/10.3390/dj13080355 - 5 Aug 2025
Abstract
Background/Objectives: The functionalization of various forms of graphene, such as graphene nanoplatelets, graphene oxide, and reduced graphene oxide, in biomaterials is a promising strategy in dentistry, particularly regarding their antimicrobial potential. However, conclusive studies on the toxicity and biocompatibility of graphene-based materials [...] Read more.
Background/Objectives: The functionalization of various forms of graphene, such as graphene nanoplatelets, graphene oxide, and reduced graphene oxide, in biomaterials is a promising strategy in dentistry, particularly regarding their antimicrobial potential. However, conclusive studies on the toxicity and biocompatibility of graphene-based materials remain limited, and standardized guidelines for their production, handling, and dental applications are still lacking. This scoping review aims to map the available studies on various types of graphene, synthesize evidence on their antimicrobial effectiveness, and describe the main biological responses when functionalized in dental biomaterials. Methods: An electronic search was conducted in the Clarivate, PubMed, and Scopus databases using the descriptors as follows: ‘graphene’ AND ‘antimicrobial effect’ AND ‘bactericidal effect’ AND (‘graphene oxide’ OR ‘dental biofilm’ OR ‘antibacterial properties’ OR ‘dental materials’). Article screening and eligibility assessment were performed based on predefined inclusion and exclusion criteria, following the PRISMA-ScR guidelines. Results: The search identified 793 articles. After removing duplicates, applying the eligibility criteria, and performing a full-text analysis of 64 articles, 21 studies were included in the review. Graphene oxide, particularly at low concentrations, was the most commonly studied graphene variant, demonstrating significant antimicrobial efficacy against S. mutans, S. faecalis, E. coli, P. aeruginosa, and C. albicans. Both mechanical and chemical mechanisms have been linked to the biological responses of graphene-doped biomaterials. The biocompatibility and cytotoxicity of these compounds remain controversial, with some studies reporting favorable outcomes, while others raise significant concerns. Conclusions: Graphene shows great promise as an antimicrobial agent in dental biomaterials. Despite encouraging results, more in vitro and in vivo studies are needed to better understand its biocompatibility and cytotoxicity in dental applications. Additionally, standardized production protocols, clearly defined clinical applications in dentistry, and regulatory guidelines from the World Health Organization concerning handling procedures and occupational risks remain necessary. Full article
(This article belongs to the Special Issue Feature Review Papers in Dentistry)
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14 pages, 3688 KiB  
Article
Oxygen-Vacancy Engineered SnO2 Dots on rGO with N-Doped Carbon Nanofibers Encapsulation for High-Performance Sodium-Ion Batteries
by Yue Yan, Bingxian Zhu, Zhengzheng Xia, Hui Wang, Weijuan Xu, Ying Xin, Qingshan Zhao and Mingbo Wu
Molecules 2025, 30(15), 3203; https://doi.org/10.3390/molecules30153203 - 30 Jul 2025
Viewed by 220
Abstract
The widespread adoption of sodium-ion batteries (SIBs) remains constrained by the inherent limitations of conventional anode materials, particularly their inadequate electronic conductivity, limited active sites, and pronounced structural degradation during cycling. To overcome these limitations, we propose a novel redox engineering approach to [...] Read more.
The widespread adoption of sodium-ion batteries (SIBs) remains constrained by the inherent limitations of conventional anode materials, particularly their inadequate electronic conductivity, limited active sites, and pronounced structural degradation during cycling. To overcome these limitations, we propose a novel redox engineering approach to fabricate oxygen-vacancy-rich SnO2 dots anchored on reduced graphene oxide (rGO), which are encapsulated within N-doped carbon nanofibers (denoted as ov-SnO2/rGO@N-CNFs) through electrospinning and subsequent carbonization. The introduction of rich oxygen vacancies establishes additional sodium intercalation sites and enhances Na+ diffusion kinetics, while the conductive N-doped carbon network effectively facilitates charge transport and mitigates SnO2 aggregation. Benefiting from the well-designed architecture, the hierarchical ov-SnO2/rGO@N-CNFs electrode achieves remarkable reversible specific capacities of 351 mAh g−1 after 100 cycles at 0.1 A g−1 and 257.3 mAh g−1 after 2000 cycles at 1.0 A g−1 and maintains 177 mAh g−1 even after 8000 cycles at 5.0 A g−1, demonstrating exceptional long-term cycling stability and rate capability. This work offers a versatile design strategy for developing high-performance anode materials through synergistic interface engineering for SIBs. Full article
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16 pages, 3402 KiB  
Article
Preparation and Performance Study of Graphene Oxide Doped Gallate Epoxy Coatings
by Junhua Liu, Ying Wu, Yu Yan, Fei Wang, Guangchao Zhang, Ling Zeng, Yin Ma and Yuchun Li
Materials 2025, 18(15), 3536; https://doi.org/10.3390/ma18153536 - 28 Jul 2025
Viewed by 265
Abstract
Coatings that are tolerant of poor surface preparation are often used for rapid, real-time maintenance of aging steel surfaces. In this study, a modified epoxy (EP) anti-rust coating was proposed, utilizing methyl gallate (MG) as a rust conversion agent, graphene oxide (GO) as [...] Read more.
Coatings that are tolerant of poor surface preparation are often used for rapid, real-time maintenance of aging steel surfaces. In this study, a modified epoxy (EP) anti-rust coating was proposed, utilizing methyl gallate (MG) as a rust conversion agent, graphene oxide (GO) as an active functional material, and epoxy resin as the film-forming material. The anti-rust mechanism was investigated using potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), scanning electron microscopy (SEM), laser scanning confocal microscopy (LSCM), and the scanning vibration electrode technique (SVET). The results demonstrated that over a period of 21 days, the impedance of the coating increases while the corrosion current density decreases with prolonged soaking time. The coating exhibited a maximum impedance of 2259 kΩ, and a lower corrosion current density of 8.316 × 10−3 A/m2, which demonstrated a three-order magnitude reduction compared to the corrosion current density observed in mild steel without coating. LSCM demonstrated that MG can not only penetrate the tiny gap between the rust particles, but also effectively convert harmful rust into a complex. SVET showed a much more uniform current density distribution in the micro-zones of mild steel with the anti-rust coating compared to uncoated mild steel, indicating that the presence of GO not only enhanced the electrical conductivity of the coating, but also improved the structure of the coating, which contributed to the high performance of the modified epoxy anti-rust coating. This work highlights the potential application of anti-rust coating in the protection of metal structures in coastal engineering. Full article
(This article belongs to the Section Electronic Materials)
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25 pages, 2550 KiB  
Review
Graphene Oxide Aerogels: From Synthesis Pathways to Mechanical Performance and Applications
by Mayur B. Wakchaure and Pradeep L. Menezes
Processes 2025, 13(8), 2375; https://doi.org/10.3390/pr13082375 - 26 Jul 2025
Viewed by 448
Abstract
Graphene oxide (GO) aerogels were discovered as lightweight, highly porous materials with exceptional mechanical, electrical, and thermal properties. These properties make them suitable for a wide range of advanced applications. This paper discusses GO aerogel synthesis processes, characterization, mechanical properties, applications, and future [...] Read more.
Graphene oxide (GO) aerogels were discovered as lightweight, highly porous materials with exceptional mechanical, electrical, and thermal properties. These properties make them suitable for a wide range of advanced applications. This paper discusses GO aerogel synthesis processes, characterization, mechanical properties, applications, and future directions. The synthesis methods discussed include hydrothermal reduction, chemical reduction, crosslinking methods, and 3D printing, with major emphasis on their effects on the aerogel’s structural and functional attributes. A detailed analysis of mechanical characterization techniques is elaborated upon, along with highlighting the effects of parameters such as porosity, crosslinking, and graphene concentration on mechanical strength, elasticity, and stability. Research has been carried out to find GO aerogel applications in various sectors, such as energy storage, environmental remediation, sensors, and thermal management, showcasing their versatility and potential. Additionally, the combination of nanoparticles and doping strategies to improve specific properties is addressed. The review concludes by identifying current challenges in scalability, brittleness, and property optimization and proposes future directions for synthesis innovations. This work will be helpful for researchers and engineers exploring new possibilities for GO aerogels in both academic and industrial areas. Full article
(This article belongs to the Special Issue Advanced Functionally Graded Materials)
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32 pages, 1689 KiB  
Review
Photocatalytic Degradation of Microplastics in Aquatic Environments: Materials, Mechanisms, Practical Challenges, and Future Perspectives
by Yelriza Yeszhan, Kalampyr Bexeitova, Samgat Yermekbayev, Zhexenbek Toktarbay, Jechan Lee, Ronny Berndtsson and Seitkhan Azat
Water 2025, 17(14), 2139; https://doi.org/10.3390/w17142139 - 18 Jul 2025
Viewed by 543
Abstract
Due to its persistence and potential negative effects on ecosystems and human health, microplastic pollution in aquatic environments has become a major worldwide concern. Photocatalytic degradation is a sustainable manner to degrade microplastics to non-toxic by-products. In this review, comprehensive discussion focuses on [...] Read more.
Due to its persistence and potential negative effects on ecosystems and human health, microplastic pollution in aquatic environments has become a major worldwide concern. Photocatalytic degradation is a sustainable manner to degrade microplastics to non-toxic by-products. In this review, comprehensive discussion focuses on the synergistic effects of various photocatalytic materials including TiO2, ZnO, WO3, graphene oxide, and metal–organic frameworks for producing heterojunctions and involving multidimensional nanostructures. Such mechanisms can include the generation of reactive oxygen species and polymer chain scission, which can lead to microplastic breakdown and mineralization. The advancements of material modifications in the (nano)structure of photocatalysts, doping, and heterojunction formation methods to promote UV and visible light-driven photocatalytic activity is discussed in this paper. Reactor designs, operational parameters, and scalability for practical applications are also reviewed. Photocatalytic systems have shown a lot of development but are hampered by shortcomings which include a lack of complete mineralization and production of intermediary secondary products; variability in performance due to the fluctuation in the intensity of solar light, limited UV light, and environmental conditions such as weather and the diurnal cycle. Future research involving multifunctional, environmentally benign photocatalytic techniques—e.g., doped composites or composite-based catalysts that involve adsorption, photocatalysis, and magnetic retrieval—are proposed to focus on the mechanism of utilizing light effectively and the environmental safety, which are necessary for successful operational and industrial-scale remediation. Full article
(This article belongs to the Section Wastewater Treatment and Reuse)
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28 pages, 4234 KiB  
Review
A Review on Laser-Induced Graphene-Based Electrocatalysts for the Oxygen Reduction Reaction in Electrochemical Energy Storage and Conversion
by Giulia Massaglia and Marzia Quaglio
Nanomaterials 2025, 15(14), 1070; https://doi.org/10.3390/nano15141070 - 10 Jul 2025
Viewed by 455
Abstract
The increasing demand for efficient and sustainable energy conversion technologies has driven extensive research into alternative electrocatalysts for the oxygen reduction reaction (ORR). Platinum-based catalysts, while highly efficient, suffer from high costs, scarcity, and long-term instability Laser-Induced Graphene (LIG) has recently attracted considerable [...] Read more.
The increasing demand for efficient and sustainable energy conversion technologies has driven extensive research into alternative electrocatalysts for the oxygen reduction reaction (ORR). Platinum-based catalysts, while highly efficient, suffer from high costs, scarcity, and long-term instability Laser-Induced Graphene (LIG) has recently attracted considerable interest as an effective metal-free electrocatalyst for oxygen reduction reaction (ORR), owing to its remarkable electrical conductivity, customizable surface functionalities, and multi-scale porous architecture. This review explores the synthesis strategies, physicochemical properties, and ORR catalytic performance of LIG. Additionally, this review offered a detailed overview regarding the effective pole of heteroatom doping (N, S, P, B) and functionalization techniques to enhance catalytic activity. Finally, we highlight the current challenges and future perspectives of LIG-based ORR catalysts for fuel cells and other electrochemical energy applications. Furthermore, laser-induced-graphene (LIG) has emerged as a highly attractive candidate for electrochemical energy conversion systems, due to its large specific surface area, tunable porosity, excellent electrical conductivity, and cost-effective fabrication process. This review discusses recent advancements in LIG synthesis, its structural and electrochemical properties, and its applications in supercapacitors, batteries, fuel cells, and electrocatalysis. Despite its advantages, challenges such as mechanical stability, electrochemical degradation, and large-scale production remain key areas for improvement. Additionally, this review explores future perspectives on optimizing LIG for next-generation energy storage and conversion technologies. Full article
(This article belongs to the Special Issue Nanomaterials Based (Bio) Electrochemical Energy and Storage Sytems)
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15 pages, 1966 KiB  
Article
Lithium Adsorption Using Graphene Oxide: Modeling, Regeneration, and Mechanistic Insights
by Abdulrahman Abu-Nada, Ahmed Abdala, Gordon McKay and Shifa Zuhara
Materials 2025, 18(14), 3211; https://doi.org/10.3390/ma18143211 - 8 Jul 2025
Viewed by 305
Abstract
Graphene oxide (GO) was synthesized using the Hummers method and evaluated for lithium-ion removal from aqueous solutions. Characterization via X-ray photoelectron spectroscopy (XPS), Fourier transform infrared (FTIR) spectroscopy, field-emission scanning electron microscopy (FE-SEM), and X-ray diffraction (XRD) confirmed the presence of oxygen-containing functional [...] Read more.
Graphene oxide (GO) was synthesized using the Hummers method and evaluated for lithium-ion removal from aqueous solutions. Characterization via X-ray photoelectron spectroscopy (XPS), Fourier transform infrared (FTIR) spectroscopy, field-emission scanning electron microscopy (FE-SEM), and X-ray diffraction (XRD) confirmed the presence of oxygen-containing functional groups (C–O–C, C=O), which act as active adsorption sites. BET analysis revealed a surface area of 232 m2/g and a pore volume of 0.4 cm3/g, indicating its high porosity. Lithium adsorption was tested using synthetic Li-doped solutions under controlled conditions. Kinetics and equilibrium studies demonstrated that the process followed the pseudo-second-order model and the Redlich–Peterson isotherm, achieving an optimum lithium adsorption capacity of 179 mg/g. The adsorption efficiency was influenced by factors such as pH and salinity. Regeneration experiments showed that HNO3 was the most effective desorbing agent, enabling GO to be reused multiple times with a moderate loss of adsorption capacity. These findings highlight GO’s exceptional efficiency in lithium removal and its suitability for wastewater treatment applications. Its recyclability and reusability further support a circular economy, making GO a highly promising material for sustainable lithium recovery and broader environmental remediation efforts. Full article
(This article belongs to the Special Issue Development and Application of Novel Membranes (2nd Edition))
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21 pages, 4980 KiB  
Article
First Principles Evaluation of Platinum Cluster Metal–Support Interactions on Nitrogen-Doped Carbon Supports
by Vu Nguyen and Shubham Vyas
Catalysts 2025, 15(7), 635; https://doi.org/10.3390/catal15070635 - 29 Jun 2025
Viewed by 311
Abstract
The fundamental chemistries and electronic structures of platinum catalysts over nitrogen-doped carbon supports were examined to determine the subtle yet important roles graphitic defect-based and pyridinic defect-based nitrogen defects have in stabilizing platinum. These roles address and extend previously gathered incomplete knowledge of [...] Read more.
The fundamental chemistries and electronic structures of platinum catalysts over nitrogen-doped carbon supports were examined to determine the subtle yet important roles graphitic defect-based and pyridinic defect-based nitrogen defects have in stabilizing platinum. These roles address and extend previously gathered incomplete knowledge of how combinations of graphitic defect and pyridinic defect affect the local electronic structure, leading to a greater unified understanding of platinum stability. A theoretical study was designed where different atomically sized platinum clusters were investigated over seven different nitrogen defect combinations on graphene carbon support. Differently sized platinum clusters offered parametric insights into the differences in metal–support interactions. Full article
(This article belongs to the Special Issue Single-Atom Catalysts: Current Trends, Challenges, and Prospects)
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10 pages, 1436 KiB  
Article
Theoretical Investigation of O2 and CO2 Adsorption on Small PdNi Clusters Supported on N-Doped Graphene Quantum Dots
by Brenda García-Hilerio, Lidia Santiago-Silva, Pastor T. Matadamas-Ortiz, Alejandro Gomez-Sanchez, Víctor A. Franco-Luján and Heriberto Cruz-Martínez
C 2025, 11(3), 43; https://doi.org/10.3390/c11030043 - 27 Jun 2025
Viewed by 476
Abstract
A density functional theory (DFT) investigation was conducted to study the O2 and CO2 adsorption on very small Pd3−nNin (n = 0–2) clusters supported on N-doped graphene quantum dots (N-GQDs). The study was carried out in two stages. [...] Read more.
A density functional theory (DFT) investigation was conducted to study the O2 and CO2 adsorption on very small Pd3−nNin (n = 0–2) clusters supported on N-doped graphene quantum dots (N-GQDs). The study was carried out in two stages. First, the interaction between Pd3−nNin (n = 0–2) clusters and N-GQDs was analyzed. Subsequently, the adsorption behavior of O2 and CO2 molecules on the supported clusters was examined. The calculated interaction energies (Eint) of Pd3−nNin (n = 0–2) clusters on N-GQDs were found to be higher than those on pristine graphene, indicating enhanced cluster stability on N-GQDs. Furthermore, the adsorption energies (Eads) of the O2 molecule on the Pd3 and Pd2Ni clusters deposited on N-GQDs were similar. Meanwhile, the PdNi2 cluster deposited on N-GQDs exhibited the highest Eads (−1.740). The Eads of CO2 on Pd3−nNin (n = 0–2) clusters embedded in N-GQDs were observed to be close to or exceed 1 eV. Upon adsorption of O2 and CO2 on the Pd3−nNin (n = 0–2) clusters supported on N-GQDs, an elongation of the O–O and C–O bond lengths was observed, respectively. This structural change may facilitate the dissociation of these molecules on the supported clusters. Full article
(This article belongs to the Section Carbon Materials and Carbon Allotropes)
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15 pages, 11303 KiB  
Article
Hierarchical Manganese-Doped Nickel–Cobalt Oxide Electrodes with Graphene for Use as High-Energy-Density Supercapacitors
by Kuan-Ching Lee, Guan-Ting Pan, Thomas Chung-Kuang Yang, Po-Cheng Shen, Kuan Lun Pan, Timm Joyce Tiong, Aleksandar N. Nikoloski and Chao-Ming Huang
Surfaces 2025, 8(3), 43; https://doi.org/10.3390/surfaces8030043 - 25 Jun 2025
Viewed by 388
Abstract
Thin films of manganese–nickel–cobalt oxide with graphene (G@MNCO) were deposited on copper foam using electrochemical deposition. NiCo2O4 is the main phase in these films. As the proportion of graphene in the precursor solution increases, the oxygen vacancies in the samples [...] Read more.
Thin films of manganese–nickel–cobalt oxide with graphene (G@MNCO) were deposited on copper foam using electrochemical deposition. NiCo2O4 is the main phase in these films. As the proportion of graphene in the precursor solution increases, the oxygen vacancies in the samples also increase. The microstructure of these samples evolves into hierarchical vertical flake structures. Cyclic voltammetry measurements conducted within the potential range of 0–1.2 V reveal that the electrode with the highest graphene content achieves the highest specific capacitance, approximately 475 F/g. Furthermore, it exhibits excellent cycling durability, maintaining 95.0% of its initial capacitance after 10,000 cycles. The superior electrochemical performance of the graphene-enhanced, manganese-doped nickel–cobalt oxide electrode is attributed to the synergistic contributions of the hierarchical G@MNCO structure, the three-dimensional Cu foam current collector, and the binder-free fabrication process. These features promote quicker electrolyte ion diffusion into the electrode material and ensure robust adhesion of the active materials to the current collector. Full article
(This article belongs to the Special Issue Surface Science in Electrochemical Energy Storage)
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16 pages, 3131 KiB  
Article
Humidity Sensing in Graphene-Trenched Silicon Junctions via Schottky Barrier Modulation
by Akeel Qadir, Munir Ali, Afshan Khaliq, Shahid Karim, Umar Farooq, Hongsheng Xu and Yiting Yu
Nanomaterials 2025, 15(13), 985; https://doi.org/10.3390/nano15130985 - 25 Jun 2025
Viewed by 270
Abstract
In this study, we develop a graphene-trenched silicon Schottky junction for humidity sensing. This novel structure comprises suspended graphene bridging etched trenches on a silicon substrate, creating both free-standing and substrate-contacting regions of graphene that enhance water adsorption sensing. Suspended graphene is intrinsically [...] Read more.
In this study, we develop a graphene-trenched silicon Schottky junction for humidity sensing. This novel structure comprises suspended graphene bridging etched trenches on a silicon substrate, creating both free-standing and substrate-contacting regions of graphene that enhance water adsorption sensing. Suspended graphene is intrinsically insensitive to water adsorption, making it difficult for adsorbed H2O to effectively dope the graphene. In contrast, when graphene is supported on the silicon substrate, water molecules can effectively dope the graphene by modifying the silicon’s impurity bands and their hybridization with graphene. This humidity-induced doping leads to a significant modulation of the Schottky barrier at the graphene–silicon interface, which serves as the core sensing mechanism. We investigate the current–voltage (I–V) characteristics of these devices as a function of trench width and relative humidity. Our analysis shows that humidity influences key device parameters, including the Schottky barrier height, ideality factor, series resistance, and normalized sensitivity. Specifically, larger trench widths reduce the graphene density of states, an effect that is accounted for in our analysis of these parameters. The sensor operates under both forward and reverse bias, enabling tunable sensitivity, high selectivity, and low power consumption. These features make it promising for applications in industrial and home safety, environmental monitoring, and process control. Full article
(This article belongs to the Section 2D and Carbon Nanomaterials)
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15 pages, 3461 KiB  
Article
A Computational Approach for Graphene Doped with N,P,B Structures as Possible Electrode Materials for Potassium Ion Batteries (PIBs): A DFT Investigation
by A. Ahmad, A. A. M. Abahussain, M. H. Nazir and S. Z. J. Zaidi
Micromachines 2025, 16(7), 735; https://doi.org/10.3390/mi16070735 - 23 Jun 2025
Viewed by 330
Abstract
Although lithium-ion batteries are considered an ideal postulant for renewable energy harvesting, storage and applications, these batteries show promising performance; however, at the same time, these harvesting devices suffer from some major limitations, including scarce lithium resources, high cost, toxicity and safety concerns. [...] Read more.
Although lithium-ion batteries are considered an ideal postulant for renewable energy harvesting, storage and applications, these batteries show promising performance; however, at the same time, these harvesting devices suffer from some major limitations, including scarce lithium resources, high cost, toxicity and safety concerns. Potassium ion batteries (PIBs) can be proven a favorable alternative to metal ion batteries because of their widespread potassium reserves, low costs and enhanced protection against sparks. In this study, DFT simulations were employed using the B3LYP/6-311++g(d p) method to explore the application of graphene and its doped variants (N,B,P-graphene) as potential anode materials for PIBs. Various key parameters such as adsorption energy, Gibbs free energy, molecular orbital energies, non-covalent interactions, cell voltage, electron density distribution and density of states were computed as a means to evaluate the suitability of materials for PIB applications. Among the four structures, nitrogen- and phosphorus-doped graphene exhibited negative Gibbs free energy values of −0.020056 and −0.021117 hartree, indicating the thermodynamic favorability of charge transfer processes. Doping graphene with nitrogen and phosphorus decreases the HOMO-LUMO gap energy, facilitating efficient ion storage and charge transport. The doping of nitrogen and phosphorus increases the cell voltage from −1.05 V to 0.54 V and 0.57 V, respectively, while boron doping decreases the cell voltage. The cell voltage produced by graphene and its doped variants in potassium ion batteries has the following order: P-graphene (0.57 V) > N-graphene (0.54 V) > graphene (−1.05 V) > B-graphene (−1.54 V). This study illustrates how nitrogen- and phosphorus-doped graphene can be used as a propitious anode electrode for PIBs. Full article
(This article belongs to the Special Issue Nanotechnology in Li-Ion Batteries and Beyond)
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14 pages, 3555 KiB  
Article
A DFT Study on the Effect of Biaxial Strain on the Electronic Properties of Graphene Doped with B, N, Al, Si, S, and Ga
by Dinara Akhmetsadyk, Daniyar Ismailov, Danatbek Murzalinov, Gulmaira Partizan and Valentina Grichshenko
Materials 2025, 18(12), 2791; https://doi.org/10.3390/ma18122791 - 13 Jun 2025
Viewed by 443
Abstract
This study presents a density functional theory (DFT) investigation of the electronic response of graphene doped with various atoms (B, N, Al, Si, S, Ga) under biaxial strain. The calculations were performed using the PBE exchange–correlation functional within the generalized gradient approximation (GGA), [...] Read more.
This study presents a density functional theory (DFT) investigation of the electronic response of graphene doped with various atoms (B, N, Al, Si, S, Ga) under biaxial strain. The calculations were performed using the PBE exchange–correlation functional within the generalized gradient approximation (GGA), as implemented in the DMol3 code. The Fermi energy was used as the primary indicator to evaluate strain sensitivity across a deformation range from −0.05 to +0.05. The results reveal a strong dependence of the electronic response on the type of dopant. Ga- and Al-doped graphene systems exhibit the most pronounced Fermi level shifts, up to 0.6 eV, indicating high sensitivity to mechanical strain. In contrast, B- and N-doped graphene show more moderate but stable and linear changes, which may be advantageous for predictable sensor behavior. These findings highlight the critical role of dopant selection in engineering strain-responsive graphene materials and support a design framework for their integration into high-performance flexible electronics and sensing applications. Full article
(This article belongs to the Section Materials Simulation and Design)
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15 pages, 3349 KiB  
Article
Potential of Graphene Doping Towards Superlubric Performance of Additively Manufactured Structures
by Pinelopi Katsivardi, Nikolaos Koutroumanis, Alexandros E. Karantzalis, Pantelis G. Nikolakopoulos and Konstantinos G. Dassios
Materials 2025, 18(12), 2730; https://doi.org/10.3390/ma18122730 - 10 Jun 2025
Viewed by 472
Abstract
Significant improvements in the tribological performance of graphene-doped additively manufactured structures are reported, with absolute values of friction coefficients reaching 0.09 corresponding to ca. 70% decreases from plain/un-doped samples. The findings highlight an impressive potential of the nanocarbon variant, to endow superior tribological [...] Read more.
Significant improvements in the tribological performance of graphene-doped additively manufactured structures are reported, with absolute values of friction coefficients reaching 0.09 corresponding to ca. 70% decreases from plain/un-doped samples. The findings highlight an impressive potential of the nanocarbon variant, to endow superior tribological performance to polymers, bringing them a step closer to the ideal superlubric regime. Such structures of intrinsic superlubric performance are envisioned as viable candidates for the containment of great amounts of energy, currently wasted as friction in a plethora of applications, hence also promoting an ecologically sustainable development. Indications that superlubricity is greatly promoted by nanocarbons, especially by the two-dimensional variant of graphene with excellent response in shear action, are investigated in combination with the effect of surface topography, for the investigation of the tribological performance of three-dimensional structures with geometric surface patterning, additively manufactured from graphene-doped polymers. Spectroscopic, mechanical, and microstructural characterization of plain polymer-based samples and their graphene-enhanced nanocomposite counterparts was followed by tribometric measurements for the establishment of the evolution of the friction coefficient on a certified commercial tribometer operating under the ball-on-disk configuration as well as on a conceptual purpose-built setup. The individual and combined effects of nanomaterial presence and patterning are reported, and the influence of manufacturing-prone micropatterning is examined. Full article
(This article belongs to the Section Carbon Materials)
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17 pages, 2881 KiB  
Article
Biological Sensing Using Vertical MoS2-Graphene Heterostructure-Based Field-Effect Transistor Biosensors
by Ying Chen, Nataly Vicente, Tung Pham and Ashok Mulchandani
Biosensors 2025, 15(6), 373; https://doi.org/10.3390/bios15060373 - 10 Jun 2025
Viewed by 786
Abstract
Our study develops two configurations of MoS2 and graphene heterostructures—MoS2 on graphene (MG) and graphene on MoS2 (GM)—to investigate biomolecule sensing in field-effect transistor (FET) biosensors. Leveraging MoS2 and graphene’s distinctive properties, we employ specialized functionalization techniques for each [...] Read more.
Our study develops two configurations of MoS2 and graphene heterostructures—MoS2 on graphene (MG) and graphene on MoS2 (GM)—to investigate biomolecule sensing in field-effect transistor (FET) biosensors. Leveraging MoS2 and graphene’s distinctive properties, we employ specialized functionalization techniques for each configuration: graphene with MoS2 on top uses a silane-based method with triethoxysilylbutyraldehyde (TESBA), and MoS2 with graphene on top utilizes 1-pyrenebutyric acid N-hydroxysuccinimide ester (PBASE). Our research explores the application of MoS2–Graphene heterostructures in biosensors, emphasizing the roles of synthesis, fabrication, and material functionalization in optimizing sensor performance. Through our experimental investigations, we have observed that doping MoS2 and graphene leads to noticeable changes in the Raman spectrum and shifts in transfer curves. Techniques such as XPS, Raman, and AFM have successfully confirmed the biofunctionalization. Transfer curves were instrumental in characterizing the biosensing performance, revealing that GM configurations exhibit higher sensitivity and a lower limit of detection (LOD) compared to MG configurations. We demonstrate that GM heterostructures offer superior sensitivity and specificity in biosensing, highlighting their significant potential to advance biosensor technologies. This research contributes to the field by detailing the creation process of vertical MoS2–graphene heterostructures and evaluating their effectiveness in accurate biomolecule detection, advancing biosensing technology. Full article
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