Modeling and simulation of carbon-nanocomposite-based gas sensors

• Roopa Hegde,
• Punya Prabha V,
• Shipra Upadhyay and
• Krishna S B

Beilstein J. Nanotechnol. 2025, 16, 90–96, doi:10.3762/bjnano.16.9

• nanomaterials, such as carbon nanotubes (CNTs), graphene, and carbon black, embedded within a polymer matrix [1]. The distinctive properties of carbon nanocomposites have positioned them as promising candidates for various applications, particularly in the development of advanced sensors. The small amounts of

• , its composites, and their application in electrochemical sensors have been discussed [6][7][8]. There are research contributions on pristine graphene and ammonia gas sensors for detection of very low ammonia content [9]. The thin-film sensor fabricated on polyethylenimine- (PEI) functionalized SWCNTs

Advanced atomic force microscopy techniques V

• Philipp Rahe,
• Ilko Bald,
• Nadine Hauptmann,
• Regina Hoffmann-Vogel,
• Harry Mönig and
• Michael Reichling

Beilstein J. Nanotechnol. 2025, 16, 54–56, doi:10.3762/bjnano.16.6

• carry out a more detailed characterization of the optoelectronic properties. Rothhardt et al. map the local work function on graphene nanoribbons [7]. They experimentally investigate the charge transfer between a gold substrate and graphene nanoribbons and compare that to DFT calculations. Indeed, the

• doping of the graphene nanoribbons is reflected by the local work function. They also measure and calculate the local work function as a function of tip–sample distance and compare results to those of simple electrostatic models of a graphene nanoribbon, validating the overall approach of measurement and

• characterization of defects in a single layer of graphene on iridium that were induced by rare-gas ion bombardment by using combined scanning tunnelling microscopy (STM) measurements and NC-AFM [12]. The authors reveal that presumed monoatomic vacancies, as deduced from STM measurements alone, have rather

Electrochemical nanostructured CuBTC/FeBTC MOF composite sensor for enrofloxacin detection

• Thi Kim Ngan Nguyen,
• Tien Dat Doan,
• Huy Hieu Luu,
• Hoang Anh Nguyen,
• Thi Thu Ha Vu,
• Quang Hai Tran,
• Ha Tran Nguyen,
• Thanh Binh Dang,
• Thi Hai Yen Pham and
• Mai Ha Hoang

Beilstein J. Nanotechnol. 2024, 15, 1522–1535, doi:10.3762/bjnano.15.120

• the MOFs. A sensor for simultaneously detecting hydroquinone and catechol in water using a Cu-MOF–graphene composite was developed by Li and colleagues. Measurement ranges beginning at 1.0 × 10−6 and 1.0 × 10−3 M were achieved, with LODs of 5.9 × 10−7 M and 3.3 × 10−7 M for hydroquinone and catechol

Integrating high-performance computing, machine learning, data management workflows, and infrastructures for multiscale simulations and nanomaterials technologies

• Fabio Le Piane,
• Mario Vozza,
• Matteo Baldoni and
• Francesco Mercuri

Beilstein J. Nanotechnol. 2024, 15, 1498–1521, doi:10.3762/bjnano.15.119

Strain-induced bandgap engineering in 2D ψ-graphene materials: a first-principles study

• Kamal Kumar,
• Nora H. de Leeuw,
• Jost Adam and
• Abhishek Kumar Mishra

Beilstein J. Nanotechnol. 2024, 15, 1440–1452, doi:10.3762/bjnano.15.116

• applications. However, the metallic nature of these materials restricts their applications in specific domains. Strain engineering is a versatile technique to tailor the distribution of energy levels, including bandgap opening between the energy bands. ψ-Graphene is a newly predicted 2D nanosheet of carbon

• atoms arranged in 5,6,7-membered rings. The half and fully hydrogenated (hydrogen-functionalized) forms of ψ-graphene are called ψ-graphone and ψ-graphane. Like ψ-graphene, ψ-graphone has a zero bandgap, but ψ-graphane is a wide-bandgap semiconductor. In this study, we have applied in-plane and out-of

• -plane biaxial strain on pristine and hydrogenated ψ-graphene. We have obtained a bandgap opening (200 meV) in ψ-graphene at 14% in-plane strain, while ψ-graphone loses its zero-bandgap nature at very low values of applied strain (both +1% and −1%). In contrast, fully hydrogenated ψ-graphene remains

Out-of-plane polarization induces a picosecond photoresponse in rhombohedral stacked bilayer WSe₂

• Guixian Liu,
• Yufan Wang,
• Zhoujuan Xu,
• Zhouxiaosong Zeng,
• Lanyu Huang,
• Cuihuan Ge and
• Xiao Wang

Beilstein J. Nanotechnol. 2024, 15, 1362–1368, doi:10.3762/bjnano.15.109

• and the scanning photocurrent map under zero bias, we reveal a non-zero short-circuit current in the graphene/3R WSe2/graphene heterojunction region, demonstrating the bulk photovoltaic effect. Furthermore, the out-of-plane polarization enables the 3R WSe2 heterojunction region to achieve an ultrafast

• inversion symmetry by second harmonic generation (SHG) measurements. The broken symmetry in 3R WSe2 leads to the BPVE. To confirm the BPVE, a vertical heterojunction of graphene-wrapped bilayer 3R WSe2 was fabricated. The non-zero short-circuit current was observed in the output characteristics and the

• scanning photocurrent map under zero bias. In addition, the OOP polarization accelerates the drift of photogenerated carriers, giving the heterojunction region an ultrafast intrinsic response time of approximately 3 ps, surpassing that of graphene under the same conditions. Despite variations in probe

Interaction of graphene oxide with tannic acid: computational modeling and toxicity mitigation in C. elegans

• Romana Petry,
• James M. de Almeida,
• Francine Côa,
• Felipe Crasto de Lima,
• Diego Stéfani T. Martinez and
• Adalberto Fazzio

Beilstein J. Nanotechnol. 2024, 15, 1297–1311, doi:10.3762/bjnano.15.105

• Abstract Graphene oxide (GO) undergoes multiple transformations when introduced to biological and environmental media. GO surface favors the adsorption of biomolecules through different types of interaction mechanisms, modulating the biological effects of the material. In this study, we investigated the

• toxicity and highlight the potential of tannic acid for the synthesis and surface functionalization of graphene-based nanomaterials, offering insights into safer nanotechnology development. Keywords: biodistribution; density functional theory; ecotoxicity; molecular dynamics; surface interactions

• ; toxicity mitigation; Introduction Graphene oxide (GO) has many potential applications in electronics, advanced materials, bio-medicine, energy, agriculture, and environmental technology [1][2][3]. It consists of a graphene sheet with surface oxygen functional groups such as epoxide, ketone, hydroxy

Quantum-to-classical modeling of monolayer Ge₂Se₂ and its application in photovoltaic devices

• Anup Shrivastava,
• Shivani Saini,
• Dolly Kumari,
• Sanjai Singh and
• Jost Adam

Beilstein J. Nanotechnol. 2024, 15, 1153–1169, doi:10.3762/bjnano.15.94

• Technology, Allahabad, Uttar Pradesh, India Department of Electrical Engineering, Indian Institute of Technology, Patna, India Center for Interdisciplinary Nanostructure Science and Technology (CINSaT), University of Kassel, Kassel, Germany 10.3762/bjnano.15.94 Abstract Since the discovery of graphene in

• transverse acoustic mode, similar to those in other two-dimensional materials such as graphene, phosphorene, and stanene, demonstrating a quadratic nature near the Γ point [43][44][45]. Figure 2d clearly depicts that all phonon bands throughout the spectrum have non-imaginary frequency, further confirming

Local work function on graphene nanoribbons

• Daniel Rothhardt,
• Amina Kimouche,
• Tillmann Klamroth and
• Regina Hoffmann-Vogel

Beilstein J. Nanotechnol. 2024, 15, 1125–1131, doi:10.3762/bjnano.15.91

• , Switzerland current address: Department of Physics, University of Basel, CH-4056 Basel, Switzerland Institute of Chemistry, University of Potsdam, Karl-Liebknecht-Str. 24–25, 14476 Potsdam-Golm, Germany 10.3762/bjnano.15.91 Abstract Graphene nanoribbons show exciting electronic properties related to the

• difference (LCPD) between a probe tip and a surface, related to the work function. Here we use this technique to map the LCPD of graphene nanoribbons grown on a Au(111) substrate. The LCPD data shows charge transfer between the graphene nanoribbons and the gold substrate. Our results are corroborated with

• density functional theory calculations, which verify that the maps reflect the doping of the nanoribbons. Our results help to understand the relation between atomic structure and electronic properties both in high-resolution images and in the distance dependence of the LCPD. Keywords: graphene

Interface properties of nanostructured carbon-coated biological implants: an overview

• Mattia Bartoli,
• Francesca Cardano,
• Erik Piatti,
• Stefania Lettieri,
• Andrea Fin and
• Alberto Tagliaferro

Beilstein J. Nanotechnol. 2024, 15, 1041–1053, doi:10.3762/bjnano.15.85

• nanostructured carbon coatings (nanodiamonds, carbon nanotubes, and graphene-related materials) for the improvement of the overall properties of medical implants. We are focusing on biological interactions, improved corrosion resistance, and overall mechanical properties, trying to provide a complete overview

• within the field. Keywords: biocompatibility; carbon nanotubes; coatings; graphene; nanodiamonds; surfaces; Introduction For centuries, the simple manipulation of natural resources has represented the only available strategy for the realization of artifacts, buildings, and innovations, until the

• applications [4] as active species or as drug delivery platforms using tailored carbon nanotubes (CNTs) [5][6], fullerenes [7][8], carbon dots (CDs) [9][10], and graphene-related materials (i.e., graphene oxide (GO) [11], reduced graphene oxide (rGO) [12], and nanographite (nG) [13]). Furthermore, the

A review on the structural characterization of nanomaterials for nano-QSAR models

• Salvador Moncho,
• Eva Serrano-Candelas,
• Jesús Vicente de Julián-Ortiz and
• Rafael Gozalbes

Beilstein J. Nanotechnol. 2024, 15, 854–866, doi:10.3762/bjnano.15.71

• , graphene, and fullerenes. For example, the sum of degrees around the carbon atoms at the surface can be used for all pristine carbon nanoforms [67]. Theoretical calculations of the surface area are more common [68], but it can also be obtained experimentally from gas adsorption data, using the Brunauer

Exploring surface charge dynamics: implications for AFM height measurements in 2D materials

• Mario Navarro-Rodriguez,
• Andres M. Somoza and
• Elisa Palacios-Lidon

Beilstein J. Nanotechnol. 2024, 15, 767–780, doi:10.3762/bjnano.15.64

• , consequently, affect the measured height. To investigate this phenomenon, we conduct measurements on monolayer flakes of co-deposited graphene oxide and reduced graphene oxide. Subsequently, we introduce a general model that elucidates our observations. This approach offers valuable insights into the dynamics

• ], sensors [2], and biomedical applications [3][4], among other areas [5][6][7][8]. Graphene-related materials [8], transition metal dichalcogenides [9], boron nitride [10], and MXenes [11], among many others, exhibit novel and exotic properties, which markedly differ from their bulk counterparts [12]. This

• explain the measurements, suggesting that there may be additional interactions directly related to the 2D nature of these materials affecting the height measurements. To explore this issue, in this work, we conducted a study on single-layer flakes of graphene oxide (GO) and reduced graphene oxide (rGO) co

Green synthesis of biomass-derived carbon quantum dots for photocatalytic degradation of methylene blue

• Dalia Chávez-García,
• Mario Guzman,
• Viridiana Sanchez and
• Rubén D. Cadena-Nava

Beilstein J. Nanotechnol. 2024, 15, 755–766, doi:10.3762/bjnano.15.63

• luminescence, upconversion luminescence does not require high photon density and can occur under normal excitation conditions [31]. Several authors have reported the existence of upconversion carbon dots (CDs). For example, Zhu et al. [43] demonstrated upconversion CDs, while Zhuo et al. [44] reported graphene

Simultaneous electrochemical determination of uric acid and hypoxanthine at a TiO₂/graphene quantum dot-modified electrode

• Vu Ngoc Hoang,
• Dang Thi Ngoc Hoa,
• Nguyen Quang Man,
• Le Vu Truong Son,
• Le Van Thanh Son,
• Vo Thang Nguyen,
• Le Thi Hong Phong,
• Ly Hoang Diem,
• Kieu Chan Ly,
• Ho Sy Thang and
• Dinh Quang Khieu

Beilstein J. Nanotechnol. 2024, 15, 719–732, doi:10.3762/bjnano.15.60

• , Hue University, Vietnam The University of Danang, University of Science and Education, Vietnam Institute of Materials Science, Vietnam Academy of Science and Technology, Vietnam Kien Giang University, Vietnam Dong Thap University, Vietnam 10.3762/bjnano.15.60 Abstract A TiO2/graphene quantum dots

• urine samples with acceptable recovery rates. Keywords: graphene quantum dots; hypoxanthine; peroxo titanium complexes; uric acid; Introduction Uric acid (7,9-dihydro-1H-purine-2,6,8(3H)-trione, URI) is the primary final product of the purine metabolism in humans. High concentrations of URI in serum

• , cost-effectiveness, and reliability. The use of modified electrodes has shown to improve significantly electrocatalytic activity and electrical conductivity of electrodes. Graphene, with sp2-hybridized carbon atoms in a single layer, has gained much attention because of its unique physicochemical

Laser synthesis of nanoparticles in organic solvents – products, reactions, and perspectives

• Theo Fromme,
• Sven Reichenberger,
• Katharine M. Tibbetts and
• Stephan Barcikowski

Beilstein J. Nanotechnol. 2024, 15, 638–663, doi:10.3762/bjnano.15.54

• produce graphite structures. The carbon shell is a surface modification and, as such, affects the nanoparticles’ catalyst properties either positively [37][155] or negatively [149]. A low number of graphene layers on the surface of the nanoparticles was found to enhance the catalytic activity during

Exfoliation of titanium nitride using a non-thermal plasma process

• Priscila Jussiane Zambiazi,
• Dolores Ribeiro Ricci Lazar,
• Larissa Otubo,
• Rodrigo Fernando Brambilla de Souza,
• Almir Oliveira Neto and
• Cecilia Chaves Guedes-Silva

Beilstein J. Nanotechnol. 2024, 15, 631–637, doi:10.3762/bjnano.15.53

• successful exfoliation of TiN structures using our innovative non-thermal plasma method, opening up exciting possibilities for advanced material applications. Keywords: exfoliation; nanosheets; non-plasma method; titanium nitride; Introduction Since the groundbreaking discovery of graphene by Andre Geim

• and Konstantin Novoselov in 2004 [1], the field of nanostructures has witnessed remarkable advancements. Various methods to fabricate graphene, such as mechanical and chemical exfoliation, combined with innovative characterization techniques, have enabled the preparation of diverse layered two

• from graphene, prominent 2D vdW materials include hexagonal boron nitride, transition metal dichalcogenides, talc nanoflakes, and black phosphorus [2][3][4]. However, because of the inherent chemical stability of 2D vdW materials under ambient conditions, researchers have also turned their attention to

Directed growth of quinacridone chains on the vicinal Ag(35 1 1) surface

• Niklas Humberg,
• Lukas Grönwoldt and
• Moritz Sokolowski

Beilstein J. Nanotechnol. 2024, 15, 556–568, doi:10.3762/bjnano.15.48

• displayed in Figure 1b. The self-assembly of QA has already been investigated on some nominally flat surfaces such as Ag(111) [22], Ag(100) and Cu(111) [23], and graphene and MoS2 [24][25]. These studies have shown that QA grows in long one-dimensional chains connected by H-bonds. The chains exhibit a small

Photocatalytic degradation of methylene blue under visible light by cobalt ferrite nanoparticles/graphene quantum dots

• Vo Chau Ngoc Anh,
• Le Thi Thanh Nhi,
• Le Thi Kim Dung,
• Dang Thi Ngoc Hoa,
• Nguyen Truong Son,
• Nguyen Thi Thao Uyen,
• Nguyen Ngoc Uyen Thu,
• Le Van Thanh Son,
• Le Trung Hieu,
• Tran Ngoc Tuyen and
• Dinh Quang Khieu

Beilstein J. Nanotechnol. 2024, 15, 475–489, doi:10.3762/bjnano.15.43

• synthesize cobalt ferrite nanoparticles/graphene quantum dots (CF/GQDs). The material was prepared from a homogeneous mixture of iron nitrate, cobalt nitrate, and starch at 140, 180 and 200 °C in a 24 h thermal hydrolysis process. The obtained materials were characterised by using X-ray diffraction, scanning

• graphene quantum dots formed directly at 200 °C. Stacking GQDs sheets onto the CF nanoparticles resulted in CF/GQDs nanoparticles. The nanocomposite exhibits satisfactory fluorescent and superparamagnetic properties, which are vital for catalytic applications. The CF/GQDs catalyse significantly the

• degradation and other dyes. Keywords: cobalt ferrite; graphene quantum dots; methylene blue; Introduction Graphene quantum dots (GQDs) have unique properties, including photoluminescence, biocompatibility, slight chemical toxicity, inertness, and excellent photostability [1][2]. Graphene quantum dots

Unveiling the nature of atomic defects in graphene on a metal surface

• Karl Rothe,
• Nicolas Néel and
• Jörg Kröger

Beilstein J. Nanotechnol. 2024, 15, 416–425, doi:10.3762/bjnano.15.37

• Karl Rothe Nicolas Neel Jorg Kroger Institut für Physik, Technische Universität Ilmenau, D-98693 Ilmenau, Germany 10.3762/bjnano.15.37 Abstract Low-energy argon ion bombardment of graphene on Ir(111) induces atomic-scale defects at the surface. Using a scanning tunneling microscope, the two

• smallest defects appear as a depression without discernible interior structure suggesting the presence of vacancy sites in the graphene lattice. With an atomic force microscope, however, only one kind can be identified as a vacancy defect with four missing carbon atoms, while the other kind reveals an

• intact graphene sheet. Spatially resolved spectroscopy of the differential conductance and the measurement of total-force variations as a function of the lateral and vertical probe–defect distance corroborate the different character of the defects. The tendency of the vacancy defect to form a chemical

On the mechanism of piezoresistance in nanocrystalline graphite

• Sandeep Kumar,
• Simone Dehm and
• Ralph Krupke

Beilstein J. Nanotechnol. 2024, 15, 376–384, doi:10.3762/bjnano.15.34

• , and graphene is already in use as a transparent and flexible conductor. However, graphene intrinsically lacks a strong response, and only by engineering defects, such as grain boundaries, one can induce piezoresistivity. Nanocrystalline graphene (NCG), a derivative form of graphene, exhibits a high

• density of defects in the form of grain boundaries. It holds an advantage over graphene in easily achieving wafer-scale growth with controlled thickness. In this study, we explore the piezoresistivity in thin films of nanocrystalline graphite. Simultaneous measurements of sheet resistance and externally

• values. For larger strains, mechanisms such as grain rotation and the formation of nanocracks might contribute to the piezoresistive behavior in nanocrystalline graphene. Keywords: grain boundary; nanocrystalline graphene; strain sensor; Raman; tunneling and destruction; Introduction Flexible strain

Determining by Raman spectroscopy the average thickness and N-layer-specific surface coverages of MoS₂ thin films with domains much smaller than the laser spot size

• Felipe Wasem Klein,
• Jean-Roch Huntzinger,
• Vincent Astié,
• Damien Voiry,
• Romain Parret,
• Houssine Makhlouf,
• Sandrine Juillaguet,
• Jean-Manuel Decams,
• Sylvie Contreras,
• Périne Landois,
• Ahmed-Azmi Zahab,
• Jean-Louis Sauvajol and
• Matthieu Paillet

Beilstein J. Nanotechnol. 2024, 15, 279–296, doi:10.3762/bjnano.15.26

• ; Introduction The advent of two-dimensional (2D) layered materials beyond graphene has initiated a new field of research [1][2][3]. In the family of 2D layered structures, transition metal dichalcogenides (TMDs) have attracted considerable attention from academia and regarding potential applications [4][5][6][7

• ][8][9] because of a number of remarkable properties [10][11][12]. Particularly, it was found that the properties of layered TMDs drastically change when their thickness is reduced to a monolayer [13][14]. Layered TMD structures have a graphite-like structure with each graphene sheet replaced with an

• expected by considering a simple thermal effect. Consequently, the results reported in Figure 2c clearly evidence photo-doping of 1L-MoS2 concomitant with a thermal effect, as already observed for MoS2 on SiO2/Si [45] as well as for graphene [42]. Furthermore, the evolution of the A′1 and E′ widths with Pλ

Multiscale modelling of biomolecular corona formation on metallic surfaces

• Parinaz Mosaddeghi Amini,
• Ian Rouse,
• Julia Subbotina and
• Vladimir Lobaskin

Beilstein J. Nanotechnol. 2024, 15, 215–229, doi:10.3762/bjnano.15.21

• (TiO2, SiO2, and Fe2O3), carbonaceous NPs (graphene, carbon nanotubes, and carbon black), semiconductors (CdSe) [26], and polymers [27], it lacks the set of short-range potentials required for calculating milk protein-aluminum adsorption energies. Here, we compute potentials of mean force (PMF) for Al

Graphene removal by water-assisted focused electron-beam-induced etching – unveiling the dose and dwell time impact on the etch profile and topographical changes in SiO₂ substrates

• Aleksandra Szkudlarek,
• Jan M. Michalik,
• Inés Serrano-Esparza,
• Zdeněk Nováček,
• Veronika Novotná,
• Piotr Ozga,
• Czesław Kapusta and
• José María De Teresa

Beilstein J. Nanotechnol. 2024, 15, 190–198, doi:10.3762/bjnano.15.18

• , Poland Departamento de Física de la Materia Condensada, Universidad de Zaragoza, 50009 Zaragoza, Spain Laboratorio de Microscopías Avanzadas (LMA), Universidad de Zaragoza, E-50018 Zaragoza, Spain 10.3762/bjnano.15.18 Abstract Graphene is one of the most extensively studied 2D materials, exhibiting

• extraordinary mechanical and electronic properties. Although many years have passed since its discovery, manipulating single graphene layers is still challenging using standard resist-based lithography techniques. Recently, it has been shown that it is possible to etch graphene directly in water-assisted

• processes using the so-called focused electron-beam-induced etching (FEBIE), with a spatial resolution of ten nanometers. Nanopatterning graphene with such a method in one single step and without using a physical mask or resist is a very appealing approach. During the process, on top of graphene

Modification of graphene oxide and its effect on properties of natural rubber/graphene oxide nanocomposites

• Nghiem Thi Thuong,
• Le Dinh Quang,
• Vu Quoc Cuong,
• Cao Hong Ha,
• Nguyen Ba Lam and
• Seiichi Kawahara

Beilstein J. Nanotechnol. 2024, 15, 168–179, doi:10.3762/bjnano.15.16

• , Niigata 940-2188, Japan 10.3762/bjnano.15.16 Abstract Modification of graphene oxide (GO) by vinyltriethoxysilane (VTES) was investigated to study the effect of silanized GO on radical graft copolymerization of GO onto deproteinized natural rubber (DPNR). The modified GO, GO-VTES (a and b), was

• stress at small strains and higher storage modulus than DPNR/GO. Keywords: graft copolymerization; graphene oxide; natural rubber; vinyltriethoxysilane; Introduction The graft copolymerization of natural rubber (NR) has gained significant interest for an extended period. This interest derives from the

• NR grafted PS, gaining the best tensile strength at 19.23 MPa. This result highlights the advantage of a nanosilica nanomatrix on the improvement of mechanical properties of NR. On the other hand, graft copolymerization of nanocarbon materials, such as graphene and graphene oxide (GO) [19][20], has

Influence of conductive carbon and MnCo₂O₄ on morphological and electrical properties of hydrogels for electrochemical energy conversion

• Sylwia Pawłowska,
• Karolina Cysewska,
• Yasamin Ziai,
• Jakub Karczewski,
• Piotr Jasiński and
• Sebastian Molin

Beilstein J. Nanotechnol. 2024, 15, 57–70, doi:10.3762/bjnano.15.6

• appropriate electrical conductivity [22]. Suspension of conductive fillers in the hydrogel structure, such as metallic particles (gold nanoparticles, silver nanoparticles) [23][24][25], carbon-based materials (GO graphene oxide, CNT carbon nanotubes) [26][27][28], and conductive polymers (polyaniline

• V vs RHE) at 145.3 mA/cm2 for N-doped graphene hydrogels/NiCo in 0.1 M KOH [33]. The electrode double-layer capacitance (Cdl) increased with the increase in cCB particle concentration (Figure 5b). For the pure hydrogel electrode, the double-layer capacitance was equal to 0.03 mF/cm2. The addition of