Electron transport through nanoscale multilayer graphene and hexagonal boron nitride junctions

• Aleksandar Staykov and
• Takaya Fujisaki

Beilstein J. Nanotechnol. 2025, 16, 2132–2143, doi:10.3762/bjnano.16.147

• enabled us to extrapolate trends for electron transport in thicker multilayer carbon and h-BN materials. Keywords: NEGF; DFT; nano-junction; Introduction Multilayer graphene nanomaterials exhibit interesting electronic properties and find application in battery electrode materials [1], electrocatalysis

• ) is a material that shares many structural and electronic properties with graphite. It is isoelectronic to graphene with N contributing two electrons to the π-conjugated bond and B contributing zero electrons, as opposed to graphene, where each C atom contributes one electron. The h-BN structure is

• . When the current is calculated for different applied biases, the current/voltage (I/V) curve is obtained. Results and Discussion We start our calculations with a comparison of the electronic properties of graphite, bulk h-BN, graphite with Stone–Wales defect, graphitic nitrogen-doped graphite, and bulk

Electrical, photocatalytic, and sensory properties of graphene oxide and polyimide implanted with low- and medium-energy silver ions

• Josef Novák,
• Eva Štěpanovská,
• Petr Malinský,
• Vlastimil Mazánek,
• Jan Luxa,
• Ulrich Kentsch and
• Zdeněk Sofer

Beilstein J. Nanotechnol. 2025, 16, 1794–1811, doi:10.3762/bjnano.16.123

• unaltered state, contains certain conductive regions and functional groups that affect its electronic properties. The lowest values of surface resistivity were achieved at an ionic fluence of 1 × 1016 cm−2, when the surface resistivity decreases to 1 × 108 Ω·sq−1. A similar trend is seen in the case of GO

• for the precise introduction of implanted atoms into the surface layers without the need for subsequent chemical modification, thus opening new possibilities in the development of functional thin films. In this study, Ag ions were used to modify polymer matrices to improve chemical and electronic

• properties of the modified materials. In our previous studies, light ions such as Cu [1][2] and C [3] were implanted into GO, PI, and other polymers. In contrast, the implantation of heavier ions like Ag interacts with the target material through different mechanisms. Owing to its higher mass, Ag has a

Influence of laser beam profile on morphology and optical properties of silicon nanoparticles formed by laser ablation in liquid

• Natalie Tarasenka,
• Vladislav Kornev,
• Alena Nevar and
• Nikolai Tarasenko

Beilstein J. Nanotechnol. 2025, 16, 1533–1544, doi:10.3762/bjnano.16.108

• its prominent optical and electronic properties, is the most widely used semiconductor material in many fields of microelectronics, optics, photovoltaics, and molecular sensing. Nevertheless, even despite its widespread application, the interest in silicon-based structures, especially having sizes in

• -infrared regions has been detected. However, as can be concluded from Figure 6a, the absorption cutoff wavelength differs for each studied sample, indicating different optical and electronic properties of the formed nanostructures. The variation of the optical properties can be caused by structural

Laser processing in liquids: insights into nanocolloid generation and thin film integration for energy, photonic, and sensing applications

• Akshana Parameswaran Sreekala,
• Pooja Raveendran Nair,
• Jithin Kundalam Kadavath,
• Bindu Krishnan,
• David Avellaneda Avellaneda,
• M. R. Anantharaman and
• Sadasivan Shaji

Beilstein J. Nanotechnol. 2025, 16, 1428–1498, doi:10.3762/bjnano.16.104

Automated collection and categorisation of STM images and STS spectra with and without machine learning

• Dylan Stewart Barker and
• Adam Sweetman

Beilstein J. Nanotechnol. 2025, 16, 1367–1379, doi:10.3762/bjnano.16.99

• learning; spectroscopy; scanning tunnelling microscopy (STM); scanning tunnelling spectroscopy (STS); Introduction Scanning tunnelling spectroscopy (STS) extends the capability of scanning tunnelling microscopy (STM) beyond topographic imaging, allowing for the direct measurement of the electronic

• properties of surfaces and molecules with atomic precision. This opens up the ability to map the local density of states (LDOS) of a sample with high spatial resolution [1][2][3]. Peaks within a map of the LDOS correspond to increases in conductance at specific bias values, revealing the energy levels of key

Enhancing the photoelectrochemical performance of BiOI-derived BiVO₄ films by controlled-intensity current electrodeposition

• Huu Phuc Dang,
• Khanh Quang Nguyen,
• Nguyen Thi Mai Tho and
• Tran Le

Beilstein J. Nanotechnol. 2025, 16, 1289–1301, doi:10.3762/bjnano.16.94

• optimize the crystallinity, surface morphology, and electronic properties of the films. Subsequently, an electrochemical deposition method was developed to facilitate the uniform distribution of V2O5 among Bi–O–I flakes to homogeneously enhance the conversion reaction. The XRD pattern confirms the

• , 712, and 830 cm−1 [27]. These bands correspond to the vibrational modes associated with the VO4− tetrahedral structure, which directly affects the electronic properties of the material [28]. The band at 830 cm−1, assigned to the symmetric stretching of the V–O bond [29], appears in samples prepared at

• synergistic effects of an improved crystalline structure, optimized morphology, and enhanced electronic properties. This study provides a comprehensive understanding of the interplay between fabrication parameters and PEC performance, paving the way for efficient BiVO-based photoanodes for solar-driven water

Electronic and optical properties of chloropicrin adsorbed ZnS nanotubes: first principle analysis

• Prakash Yadav,
• Boddepalli SanthiBhushan and
• Anurag Srivastava

Beilstein J. Nanotechnol. 2025, 16, 1184–1196, doi:10.3762/bjnano.16.87

• correspond to the maximum structural deformation caused by CP physisorption. These results are consistent with the adsorption energy trends. Band structures and density of states analysis The electronic properties of ZnS NT in the presence of CP molecules are analyzed with the help of band structure, total

• configurations, charge transfer, band structure, density of states, optical absorption, and optical conductivity have been systematically analyzed. The adsorption of CP induces substantial modifications in the optical and electronic properties of the NT, including a remarkable 40% reduction in the energy bandgap

Time-resolved probing of laser-induced nanostructuring processes in liquids

• Maximilian Spellauge,
• David Redka,
• Mianzhen Mo,
• Changyong Song,
• Heinz Paul Huber and
• Anton Plech

Beilstein J. Nanotechnol. 2025, 16, 968–1002, doi:10.3762/bjnano.16.74

• laser-excited NPs. While the TAS technique provides insight into the electronic properties of the NPs, it is, however, unable to reveal the response of the surrounding liquid to the excitation. To this end, the time-resolved scattering techniques based on X-rays and electrons are more appropriate

Insights into the electronic and atomic structures of cerium oxide-based ultrathin films and nanostructures using high-brilliance light sources

• Paola Luches and
• Federico Boscherini

Beilstein J. Nanotechnol. 2025, 16, 860–871, doi:10.3762/bjnano.16.65

• , complementary information on the electronic properties and on the local atomic structure can be obtained from the analysis of XAS data. X-ray absorption near-edge spectroscopy (XANES), analyzing the signal within the first few tens of electronvolts above the absorption edge, provides information mainly on the

• shown as dashed lines. Reprinted from [49] with permission of the Royal Society of Chemistry (“Electronic properties of epitaxial cerium oxide films during controlled reduction and oxidation studied by resonant inelastic X-ray scattering” by G. Gasperi et al., Phys. Chem. Chem. Phys. vol. 18, issue 30

Thickness dependent oxidation in CrCl₃: a scanning X-ray photoemission and Kelvin probe microscopies study

• Shafaq Kazim,
• Rahul Parmar,
• Maryam Azizinia,
• Matteo Amati,
• Muhammad Rauf,
• Andrea Di Cicco,
• Seyed Javid Rezvani,
• Dario Mastrippolito,
• Luca Ottaviano,
• Tomasz Klimczuk,
• Luca Gregoratti and
• Roberto Gunnella

Beilstein J. Nanotechnol. 2025, 16, 749–761, doi:10.3762/bjnano.16.58

• , Faculty of Applied Physics and Mathematics, 80-233 Gdansk, Poland 10.3762/bjnano.16.58 Abstract The modifications in the electronic properties induced by the thickness and size of an individual flake of transition-metal halides on different substrates (silicon oxide or In-doped tin oxide) are of

• content of defects such as adatoms, the length of grain boundaries, vacancies, and substitution impurities influence the electrical, magnetic, and electronic properties of the final device [14][15][4]. To name one, the formation of chalcogenide vacancies is often related to the enhanced dissociation of

• electronic properties of a material. Neal et al. [34] reported the effect of chemisorption of oxygen as a kind of p-type doping, which shows consistency with our results. We expect the surface potential to show the same behavior depending on the chemical composition found by spatially resolved photoemission

Colloidal few layered graphene–tannic acid preserves the biocompatibility of periodontal ligament cells

• Teissir Ben Ammar,
• Naji Kharouf,
• Dominique Vautier,
• Housseinou Ba,
• Nivedita Sudheer,
• Philippe Lavalle and
• Vincent Ball

Beilstein J. Nanotechnol. 2025, 16, 664–677, doi:10.3762/bjnano.16.51

• multiple sources including metal impurities (such as Fe, Ni, or Cu) present in the graphene structure, as well as from the intrinsic electronic properties of graphene itself. Indeed, graphene’s sp2 hybridization and delocalized π electrons can participate in electron transfer reactions, potentially leading

• . The cellular response on different graphene surfaces was previously studied, and it was demonstrated that substrate characteristics such as surface roughness, surface chemistry, and electronic properties can influence cell response [38]. The implications of these results are particularly significant

ReactorAFM/STM – dynamic reactions on surfaces at elevated temperature and atmospheric pressure

• Tycho Roorda,
• Hamed Achour,
• Matthijs A. van Spronsen,
• Marta E. Cañas-Ventura,
• Sander B. Roobol,
• Willem Onderwaater,
• Mirthe Bergman,
• Peter van der Tuijn,
• Gertjan van Baarle,
• Johan W. Bakker,
• Joost W. M. Frenken and
• Irene M. N. Groot

Beilstein J. Nanotechnol. 2025, 16, 397–406, doi:10.3762/bjnano.16.30

• AFM/STM reactor is the possibility to observe the structural and electronic properties of the surface at high gas pressures and temperatures, independent of its conductivity. The extension from STM-only and AFM-only to the combined AFM/STM reactor is an ongoing development of the existing ReactorSTM

Emerging strategies in the sustainable removal of antibiotics using semiconductor-based photocatalysts

• Yunus Ahmed,
• Keya Rani Dutta,
• Parul Akhtar,
• Md. Arif Hossen,
• Md. Jahangir Alam,
• Obaid A. Alharbi,
• Hamad AlMohamadi and
• Abdul Wahab Mohammad

Beilstein J. Nanotechnol. 2025, 16, 264–285, doi:10.3762/bjnano.16.21

• wastewater treatment. Titanium dioxide-based materials TiO2 is the most commonly used photocatalyst for antibiotic removal owing to its unique features. In nanostructured forms, this substance exhibits outstanding physical and chemical durability, a high ratio of surface area to volume, adjustable electronic

• properties, exceptional photocatalytic performance, lack of toxicity, widespread availability, and cost efficiency [65]. It has a broad bandgap (3.2 eV). Therefore, it can be activated only by UV radiation, which is only a small part of the solar spectrum. This feature makes TiO2 not suitable for outdoor

Theoretical study of the electronic and optical properties of a composite formed by the zeolite NaA and a magnetite cluster

• Joel Antúnez-García,
• Roberto Núñez-González,
• Vitalii Petranovskii,
• H’Linh Hmok,
• Armando Reyes-Serrato,
• Fabian N. Murrieta-Rico,
• Mufei Xiao and
• Jonathan Zamora

Beilstein J. Nanotechnol. 2025, 16, 44–53, doi:10.3762/bjnano.16.5

• structure and properties of these systems is very limited. Besides, to the best of our knowledge, there is a dearth of theoretical literature specifically addressing the study of magnetic clusters within zeolites. With this motivation, the present study evaluates the electronic properties of the magnetite

• cluster using DFT calculations and compares them to those in the case where the cluster is embedded within the NaA zeolite. Our work aims to provide insights into the structural and electronic properties of these systems, paving the way for future experimental investigations and the development of novel

• cluster (see Figure 1), as proposed by Ermakov et al. [56], for the purposes of this study. After separately obtaining the optical and electronic properties of both the NaA zeolite and the cluster, our next step involved locating the position of minimum energy for the cluster within the zeolite framework

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

Effect of radiation-induced vacancy saturation on the first-order phase transformation in nanoparticles: insights from a model

• Aram Shirinyan and
• Yuriy Bilogorodskyy

Beilstein J. Nanotechnol. 2024, 15, 1453–1472, doi:10.3762/bjnano.15.117

• atoms. These defects can significantly alter the structural, mechanical, and electronic properties of materials. This prompts the questions: How do radiation-induced defects influence first-order phase transformations in nanoscale systems? Can radiation-induced defects initiate polymorphic transitions

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

• engineering can be achieved through different techniques like (i) doping, where the introduction of dopants or impurities modifies the EBS [21], (ii) strain engineering by inserting mechanical strain to alter the electronic properties [22][23], and (iii) defect engineering [24]. Among these techniques, strain

• functional theory (DFT) calculations to investigate the modification of the electronic properties of graphene through strain engineering [33]. They found that isotropic and biaxial strains cannot open graphene’s bandgap [33]. In contrast, the presence of biaxial strain and compression along zig-zag (11%) and

• armchair (−20%) directions can open the bandgap of graphene up to 1 eV [33]. The application of strain engineering is not restricted to tailoring the electronic properties of graphene; it can also be employed to change the electronic characteristics of novel 2D post-graphene materials [34][35][36]. Xu et

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

• regarding the electronic properties of the system, such as the most reactive sites and their interactions. Our findings provided new insights into toxicity mitigation and behavior of GO in the environment, as well as, the safety of application of TA for synthesis and functionalization of this nanomaterial

• surface of a GO flake in an aqueous environment. This allowed us to explore the chemical and conformational changes occurring in TA and GO. Additionally, ab initio calculations were conducted to investigate the electronic properties of the system, including the identification of the most reactive sites on

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

• –k dispersion reveals the investigated material’s key electronic properties. The calculations reveal a direct bandgap of 1.12 eV for monolayer Ge2Se2. We further extract critical optical parameters using the Kubo–Greenwood formalism and Kramers–Kronig relations. A significantly large absorption

• the investigated structure’s dynamic stability. Electronic and transport properties The electronic properties of materials play a crucial role in predicting the material behavior and transport parameters and, hence, its prospective applications. We investigated the electronic properties of monolayer

• design of future photovoltaic materials. Material simulation using DFT The structural and electronic properties have been investigated using an ab initio computational approach within the density functional theory (DFT) framework as implemented in the Quantum Espresso (QE) code [65][66]. We started our

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

• 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

• nanoribbons; Kelvin probe force microscopy; local contact potential difference; Introduction Graphene’s electronic properties are determined by its two-dimensionality as well as by its semimetallic gapless conical band structure [1]. Its electronic behavior depends strongly on the location of the Fermi level

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

• deeply affects its electronic properties, which are considerably inferior compared with neat graphene. However, GO can be suspended in several solvents and easily functionalized to act as a chemical platform [48]. rGO stands as a compromise between the easier handling of GO and the properties of neat

Ca_n neutral clusters: a two-step G₀W₀ and DFT benchmark

• Sunila Bakhsh,
• Sameen Aslam,
• Muhammad Khalid,
• Muhammad Sohail,
• Sundas Zafar,
• Sumayya Abdul Wadood,
• Kareem Morsy and
• Muhammad Aamir Iqbal

Beilstein J. Nanotechnol. 2024, 15, 1010–1016, doi:10.3762/bjnano.15.82

• , except for a few stable even and odd clusters. The electronic properties of the calcium cluster were studied with an all-electron FHI-aims code. In the G0W0 calculation, the magic cluster Ca10 has relatively high ionization potential and low electron affinity. The obtained ionization potentials from the

• thermodynamic properties [1][13][14]. However, there are no systematic studies on the electronic and structural properties of the series of calcium clusters. Apart from some theoretical studies on calcium clusters, there are no systematic discussions on neutral cluster structural and electronic properties

• technological advancements [2]. We used the DFT + GW scheme to investigate the electronic properties and structures of neutral Can (n = 2–20) clusters. From the DFT [17][18], one can obtain the accurate binding energies of the clusters, whereas the study of electronic properties from the GW approximation

Identification of structural features of surface modifiers in engineered nanostructured metal oxides regarding cell uptake through ML-based classification

• Indrasis Dasgupta,
• Totan Das,
• Biplab Das and
• Shovanlal Gayen

Beilstein J. Nanotechnol. 2024, 15, 909–924, doi:10.3762/bjnano.15.75

• ionization potential with the Moreau–Broto autocorrelation to measure the structural and electronic properties of surface modifiers [51] and has a negative impact on the cellular uptake of ENMOs. For example, in the case of surface modifiers 11, 24, 59, and 97, higher values of the AATS7i descriptor result

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

• –sample capacitance [77], also allows one to discriminate GO from rGO. While a quantitative interpretation of the 2ωelec contrast in 2D materials necessitates further elucidation, it has proven reliable and robust for distinguishing materials with distinct electronic properties and, in particular, for

• also by applying an external AC voltage. This approach presents distinct advantages, allowing for precise tuning of both amplitude and frequency, providing an alternative path for exploring the electronic properties of 2D materials, which will be addressed in the future. (a) Topography of a stack of GO

Gold nanomakura: nanoarchitectonics and their photothermal response in association with carrageenan hydrogels

• Nabojit Das,
• Vikas,
• Akash Kumar,
• Sanjeev Soni and
• Raja Gopal Rayavarapu

Beilstein J. Nanotechnol. 2024, 15, 678–693, doi:10.3762/bjnano.15.56

• temperature [2]. The mean free path of an electron is influenced by shape/size of the metal nanoparticles which ultimately governs their physical, chemical, optical, magnetic, catalytic, and electronic properties [3]. All plasmonic metals exhibit optical phenomena over a range of electromagnetic radiation