@ihtm.bg.ac.rs
Department of Microelectronic Technologies
Institute of Chemistry, Technology and Metallurgy
Electrical and Electronic Engineering, Materials Science
Scopus Publications
Scholar Citations
Scholar h-index
Scholar i10-index
Lazar Rakočević, Jelena Golubović, Dana Vasiljević Radović, Vladimir Rajić, and Svetlana Štrbac
Elsevier BV
Ivana O. Mladenović, Marija M. Vuksanović, Stevan P. Dimitrijević, Rastko Vasilić, Vesna J. Radojević, Dana G. Vasiljević-Radović, and Nebojša D. Nikolić
MDPI AG
Copper from sulfate baths without and with added inorganic pigment particles based on strontium aluminate doped with europium and dysprosium (SrAl2O4: Eu2+, Dy3+) was electrodeposited on a brass cathode by a galvanostatic regime. Morphological, structural, and roughness analysis of the pigment particles, the pure (pigment-free) Cu coating, and the Cu coatings with incorporated pigment particles were performed using SEM, XRD, and AFM techniques, respectively. Hardness and creep resistance were considered for the examination of the mechanical properties of the Cu coatings, applying Chicot–Lesage (for hardness) and Sargent–Ashby (for creep resistance) mathematical models. The wettability of the Cu coatings was examined by the static sessile drop method by a measurement of the water contact angle. The incorporation of pigment particles in the Cu deposits did not significantly affect the morphology or texture of the coatings, while the roughness of the deposits rose with the rise in pigment particle concentrations. The hardness of the Cu coatings also increased with the increasing concentration of pigments and was greater than that obtained for the pigment-free Cu coating. The presence of the pigments caused a change in the wettability of the Cu coatings from hydrophilic (for the pigment-free Cu coating) to hydrophobic (for Cu coatings with incorporated particles) surface areas.
Jelena N. Stevanović, Srđan P. Petrović, Nenad B. Tadić, Katarina Cvetanović, Ana G. Silva, Dana Vasiljević Radović, and Milija Sarajlić
MDPI AG
TiO2 and CeO2 are well known as oxygen sensing materials. Despite high sensitivity, the actual utilization of these materials in gas detection remains limited. Research conducted over the last two decades has revealed synergistic effects of TiO2-CeO2 mixed oxides that have the potential to improve some aspects of oxygen monitoring. However, there are no studies on the sensing properties of the TiO2-CeO2 obtained by mechanochemical treatment. We have tested the applicability of the mechanochemically treated TiO2-CeO2 for oxygen detection and presented the results in this study. The sensing layers are prepared as a porous structure by screen printing a thick film on a commercial substrate. The obtained structures were exposed to various O2 concentrations. The results of electrical measurements showed that TiO2-CeO2 films have a significantly lower resistance than pure oxide films. Mixtures of composition TiO2:CeO2 = 0.8:0.2, ground for 100 min, have the lowest electrical resistance among the tested materials. Mixtures of composition TiO2:CeO2 = 0.5:0.5 and ground for 100 min proved to be the most sensitive. The operating temperature can be as low as 320 °C, which places this sensor in the class of semiconductor sensors working at relatively lower temperatures.
I. O. Mladenović, M. M. Vuksanović, V. Jovanov, Ž. Radovanović, M. Obradov, N. D. Nikolić, and D. G. Vasiljević-Radović
IEEE
Electrochemically deposited nickel coatings from sulfamate baths without/with lab-made biosilica (SiO2) particles on the Si(100) substrate were produced. Different galvanostatic regimes were used: direct current (DC), pulse current (PC), and pulse-reverse current (PRC) regimes. The phase structure of the synthesized silica nanoparticles from rice husks was obtained using XRD and FE-SEM. The MMC-Ni/SiO2 and free Ni coatings were characterized using FE-SEM, AFM, the micro indentation Vickers technique, and the drop sessile method in order to investigate structure, roughness, microhardness, and wettability. The optimal deposition parameters were obtained with an emphasis on their potential application as micro mounting coatings.
Ivana Mladenović, Marija Vuksanović, Marko Obradov, Vladislav Jovanov, Miloš Vorkapić, Nebojša D. Nikolić, and Dana Vasiljević-Radović
IEEE
In this study, different forms of copper films were electrodeposited (ED) on silicon wafer, copper and brass foils. The effect of monocrystalline Si(111) surface cleaning method and electrodeposition conditions and regimes (frequency in the pulsating current (PC) regime, an addition of additives in electrolyte for the constant galvanostatic (DC) regime, and thickness) on surface morphology and wettability of copper films was investigated. Optical microscopy equipped with high-resolution camera, scanning electron microscopy (SEM) and an atomic force microscopy (AFM) were used for thin film characterization and to evaluate wettability of copper films. The sessile drop method was used for the measurement of water contact angle. According to the obtained results, choice of electrolyte used in ED greatly affects wettability of copper films. It was also shown that copper films electrodeposited from basic sulfate electrolyte with varying current regimes frequencies, thicknesses, and cathode types have opposite trends between roughness parameter values and the water contact angle value. Structural-morphological changes of a film or bulk solid surface are key parameters in determining wettability properties and the analysis of the wetting angle oscillations, but not the only one.
Ivan Pešić, Milena Rašljić Rafajilović, Dana Vasiljević Radović, Sanja Ostojić, Miloš Petrović, Vesna Radojević, and Marija V. Pergal
IEEE
The present study reports on the preparation of nanocomposites consisting of polyurethane (PU) as the matrix and Ti3 C2 Tx MXene as the nanofiller, utilizing an in-situ polymerization method. The synthesis parameters of polyurethane remained constant, while the method of adding and preparing MXene was varied. The MXene content was maintained at 1 wt.% for all prepared nanocomposites, and the soft segment content was held constant as well. For the characterization of our materials, FTIR, SEM, TGA and tensile tests were employed. Also, the properties of the prepared nanocomposites were compared to pure PU. FTIR spectra confirmed the formation of urethane bonds. SEM images demonstrated the dispersion state of MXene in the polymer matrix. TGA revealed higher thermal stability of the prepared nanocomposites compared to pure PU. Moreover, the Young’s modulus and tensile strength increased for all prepared nanocomposites.
Marko V. Bošković, Miloš Frantlović, Evgenija Milinković, Predrag D. Poljak, Dana Vasiljević Radović, Jelena N. Stevanović, and Milija Sarajlić
MDPI AG
Self-powered sensors are gaining a lot of attention in recent years due to their possible application in the Internet of Things, medical implants and wireless and wearable devices. Human breath detection has applications in diagnostics, medical therapy and metabolism monitoring. One possible approach for breath monitoring is detecting the humidity in exhaled air. Here, we present an extremely sensitive, self-powered sensor for breath humidity monitoring. As a power source, the sensor uses electromagnetic energy harvested from the environment. Even electromagnetic energy harvested from the human body is enough for the operation of this sensor. The signal obtained using the human body as a source was up to 100 mV with an estimated power of 1 nW. The relatively low amount of energy that could be harvested in this way was producing a signal that was modulated by an interdigitated capacitor made out of electrochemically activated aluminum. The signal obtained in this way was rectified by a set of Schottky diodes and measured by a voltmeter. The sensor was capable of following a variety of different respiration patterns during normal breathing, exercise and rest, at the same time powered only by electromagnetic energy harvested from the human body. Everything happened in the normal environment used for everyday work and life, without any additional sources, and at a safe level of electromagnetic radiation.
Ivana Stajcic, Aleksandar Stajcic, Cristina Serpa, Dana Vasiljevic-Radovic, Branislav Randjelovic, Vesna Radojevic, and Hans Fecht
MDPI AG
Polymers and polymer matrix composites are commonly used materials with applications extending from packaging materials to delicate electronic devices. Epoxy resins and fiber-reinforced epoxy-based composites have been used as adhesives and construction parts. Fractal analysis has been recognized in materials science as a valuable tool for the microstructural characterization of composites by connecting fractal characteristics with composites’ functional properties. In this study, fractal reconstructions of different microstructural shapes in an epoxy-based composite were performed on field emission scanning electron microscopy (FESEM) images. These images were of glass fiber reinforced epoxy as well as a hybrid composite containing both glass and electrospun polystyrene fibers in an epoxy matrix. Fractal reconstruction enables the identification of self-similarity in the fractal structure, which represents a novelty in analyzing the fractal properties of materials. Fractal Real Finder software, based on the mathematical affine fractal regression model, was employed to reconstruct different microstructure shapes and calculate fractal dimensions to develop a method of predicting the optimal structure–property relations in composite materials in the future.
Jelena Golubović, Lazar Rakočević, Dana Vasiljević Radović, and Svetlana Štrbac
MDPI AG
PdPt bimetallic nanoparticles on carbon-based supports functioning as advanced electrode materials have attracted attention due to their low content of noble metals and high catalytic activity for fuel cell reactions. Glassy carbon (GC)-supported Pt and PdPt nanoparticles, as promising catalysts for the oxygen reduction reaction (ORR), were prepared by the electrochemical deposition of Pt and the subsequent spontaneous deposition of Pd. The obtained electrodes were examined using X-ray Photoelectron Spectroscopy (XPS), Atomic Force Microscopy (AFM), and electroanalytical techniques. An XPS analysis of the PdPt/GC with the highest ORR performance revealed that the stoichiometric ratio of Pd: Pt was 1:2, and that both Pt and Pd were partially oxidized. AFM images of PdPt2/GC showed the full coverage of GC with PdPt nanoparticles with sizes from 100–300 nm. The ORR activity of PdPt2/GC in an acid solution approached that of polycrystalline Pt (E1/2 = 0.825 V vs. RHE), while exceeding it in an alkaline solution (E1/2 = 0.841 V vs. RHE). The origin of the improved ORR on PdPt2/GC in an alkaline solution is ascribed to the presence of a higher amount of adsorbed OH species originating from both PtOH and PdOH that facilitated the 4e-reaction pathway.
Aleksandar Stajcic, Ivana Stajcic, Vojislav V. Mitic, Chun-An Lu, Branislav Vlahovic, and Dana Vasiljevic-Radovic
World Scientific Pub Co Pte Ltd
BaTiO3 (BTO) is considered the most commonly used ceramic material in multilayer ceramic capacitors due to its desirable dielectric properties. Considering that the miniaturization of electronic devices represents an expanding field of research, modification of BTO has been performed to increase dielectric constant and DC bias characteristic/sensitivity. This research presents the effect of N2 and air atmospheres on morphological and dielectric properties of BTO nanoparticles modified with organometallic salt at sintering temperatures of [Formula: see text]C, [Formula: see text]C, [Formula: see text]C, and [Formula: see text]C. Measured dielectric constants were up to 35,000, with achieved very high values in both atmospheres. Field emission scanning electron microscopy (FESEM) was used for morphological characterization, revealing a porous structure in all the samples. The software image analysis of FESEM images showed a connection between particle and pore size distribution, as well as porosity. Based on the data from the image analysis, the prediction of dielectric properties in relation to morphology indicated that yttrium-based organometallic salt reduced oxygen vacancy generation in N2 atmosphere. DC bias sensitivity measurements showed that samples with higher dielectric constant had more pronounced sensitivity to voltage change, but most of the samples were stable up to 100 V, making our modified BTO a promising candidate for capacitors.
Ivana O. Mladenović, Marko V. Bošković, Marija M. Vuksanović, Nebojša D. Nikolić, Jelena S. Lamovec, Dana G. Vasiljević-Radović, and Vesna J. Radojević
MDPI AG
Mechanical (hardness and adhesion) and electrical (sheet resistance) characteristics of electrolytically produced copper coatings have been investigated. Morphologies of Cu coatings produced galvanostatically at two current densities from the basic sulfate electrolyte and from an electrolyte containing levelling/brightening additives without and with application of ultrasound for the electrolyte stirring were characterized by SEM and AFM techniques. Mechanical characteristics were examined by Vickers microindentation using the Chen–Gao (C–G) composite hardness model, while electrical characteristics were examined by the four-point probe method. Application of ultrasound achieved benefits on both hardness and adhesion of the Cu coatings, thereby the use of both the larger current density and additive-free electrolyte improved these mechanical characteristics. The hardness of Cu coatings calculated according to the C–G model was in the 1.1844–1.2303 GPa range for fine-grained Cu coatings obtained from the sulfate electrolyte and in the 0.8572–1.1507 GPa range for smooth Cu coatings obtained from the electrolyte with additives. Analysis of the electrical characteristics of Cu coatings after an aging period of 4 years showed differences in the sheet resistance between the top and the bottom sides of the coating, which is attributed to the formation of a thin oxide layer on the coating surface area.
Stevan Andrić, Tijana Tomašević-Ilić, Lazar Rakočević, Dana Vasiljević-Radović, and Marko Spasenović
MYU K.K.
Ivana Mladenović, Jelena Lamovec, Dana Vasiljević Radović, Vesna Radojević, and Nebojša D. Nikolić
International Association of Physical Chemists (IAPC)
The influence of various intensities of ultrasound applied for the electrolyte stirring on morphological and mechanical characteristics of electrolytically produced copper coatings has been investigated. The copper coatings produced by the galvanostatic regime of the electrodeposition from the basic sulphate electrolyte and the electrolyte with added levelling/brightening additives at the low temperature were characterized by scanning electron microscopy (SEM) and atomic force microscopy (AFM) techniques (surface morphology and topography, respectively) and by Vickers microindentation (hardness). The roughness of coatings increased with the increasing intensity of ultrasound, indicating that morphology of the coatings worsened with the enhanced application of ultrasonic waves. This is attributed to the strong effect of ultrasound on hydrodynamic conditions in the near-electrode layer, which is manifested by the increase of share of the activation control in the mixed activation-diffusion control of electrodeposition with increasing the intensity of ultrasound. The concept of "effective overpotential" originally proposed to explain a change of surface morphology in the conditions of vigorous hydrogen evolution is also applicable for a change of morphology of Cu coatings under the imposed effect of ultrasonic waves. Hardness analysis of the coatings showed that an intensity of applied ultrasound did not have any significant effect on the hardness, especially for the Cu coatings produced from the basic sulphate electrolyte.
Ivana Mladenovic, Jelena Lamovec, Dana Vasiljevic-Radovic, Vesna Radojevic, and Nebojsa Nikolic
National Library of Serbia
In this study, a novel procedure, based on application of the Chicot?Lesage (C?L) composite hardness model, was proposed for the determination of an absolute hardness of electrolytically produced copper coatings. The Cu coatings were electrodeposited on the Si(111) substrate by the pulsating current (PC) regime with a variation of the following parameters: the pause duration, the current density amplitude and the coating thickness. The topography of produced coatings was characterized by atomic force microscope (AFM), while a hardness of the coatings was examined by Vickers microindentation test. Applying the C?L model, the critical relative indentation depth (RID)c of 0.14 was determined, which is independent of all examined parameters of the PC regime. This RID value separated the area in which the composite hardness of the Cu coating corresponded to its absolute hardness (RID <?0.14) from the area in which the application of the C?L model was necessary for a determination of the absolute coating hardness (RID ? 0.14). The obtained value was in a good agreement with the value already published in the literature.
Stevan Andrić, Milija Sarajlić, Miloš Frantlović, Ivana Jokić, Dana Vasiljević-Radović, and Marko Spasenović
MDPI AG
Graphene has become a material of choice for an increasing number of scientific and industrial applications. It has been used for gas sensing due to its favorable properties, such as a large specific surface area, as well as the sensitivity of its electrical parameters to adsorption processes occurring on its surface. Efforts are ongoing to produce graphene gas sensors by using methods that are compatible with scaling, simple deposition techniques on arbitrary substrates, and ease of use. In this paper, we demonstrate the fabrication of carbon dioxide gas sensors from Langmuir–Blodgett thin films of sulfonated polyaniline-functionalized graphene that was obtained by using electrochemical exfoliation. The sensor was tested within the highly relevant concentration range of 150 to 10,000 ppm and 0% to 100% at room temperature (15 to 35 °C). The results show that the sensor has both high sensitivity to low analyte concentrations and high dynamic range. The sensor response times are approximately 15 s. The fabrication method is simple, scalable, and compatible with arbitrary substrates, which makes it potentially interesting for many practical applications. The sensor is used for real-time carbon dioxide concentration monitoring based on a theoretical model matched to our experimental data. The sensor performance was unchanged over a period of several months.
Katarina Antić, Antonije Onjia, Dana Vasiljević-Radović, Zlate Veličković, and Simonida Lj. Tomić
MDPI AG
The adsorption of Ni2+ ions from water solutions by using hydrogels based on 2-hydroxyethyl acrylate (HEA) and itaconic acid (IA) was studied. Hydrogel synthesis was optimized with response surface methodology (RSM). The hydrogel with the best adsorption capacity towards Ni2+ ions was chosen for further experiments. The hydrogel was characterized by Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM) and atomic force microscopy (AFM) analysis before and after the adsorption of Ni2+ ions. Batch equilibrium experiments were conducted to investigate the influence of solution pH, hydrogel weight, ionic strength, adsorption time, temperature and initial concentration of nickel ions on the adsorption. Time-dependent adsorption fitted the best to the pseudo-second-order kinetic model. A thermodynamic study revealed that the adsorption was an exothermic and non-spontaneous process. Five isotherm models were studied, and the best fit was obtained with the Redlich–Peterson model. Consecutive adsorption/desorption studies indicated that the HEA/IA hydrogel can be efficiently used as a sorbent for the removal of Ni2+ ions from the water solution. This study develops a potential adsorbent for the effective removal of trace nickel ions.
Ivana O. Mladenović, Jelena S. Lamovec, Dana G. Vasiljević-Radović, Rastko Vasilić, Vesna J. Radojević, and Nebojša D. Nikolić
MDPI AG
The influence of various electrolysis parameters, such as the type of cathode, composition of the electrolyte and electrolysis time, on the morphology, structure and hardness of copper coatings has been investigated. Morphology and structure of the coatings were analyzed by scanning electron microscope (SEM), atomic force microscope (AFM) and X-ray diffraction (XRD), while coating hardness was examined by Vickers microindentation test applying the Chicot–Lesage (C–L) composite hardness model. Depending on the conditions of electrolysis, two types of Cu coatings were obtained: fine-grained mat coatings with a strong (220) preferred orientation from the sulfate electrolyte and smooth mirror bright coatings with a strong (200) preferred orientation from the electrolyte with added leveling/brightening additives. The mat coatings showed larger both measured composite and calculated coating hardness than the mirror bright coatings, that can be explained by the phenomena on boundary among grains. Independent of electrolysis conditions, the critical relative indentation depth (RID) of 0.14 was established for all types of the Cu coatings, separating the zone in which the composite hardness can be equaled with the coating hardness and the zone requiring an application of the C–L model for a determination of the absolute hardness of the Cu coatings.
I. Mladenovic, M. Boskovic, J. Lamovec, M. Vuksanovic, N. D. Nikolic, V. Radojevic, and D. Vasiljevic-Radovic
IEEE
Electrochemically deposited copper coatings obtained from sulfate baths on brass substrates in the regime of direct current (DC) with and without an application of ultrasound mixing of electrolytes (DC/US) have been studied. The aim of the research was analysis of the influence of current density, ultrasonic mixing of electrolyte and presence of additives on the electrodeposited coatings, in order to obtain uniform compact coatings suitable for potential application in MEMS devices. Structural, electrical and mechanical behavior of thin copper coatings were investigated using SEM, AFM, four- point probe method and Vickers hardness test.
M. Obradov, Z. Jaksic, I. Mladenovic, D. Tanaskovic, and D. Vasiljevic Radovic
IEEE
Plasmonic crystals exhibit excellent waveguiding and extreme light localizing properties. However, if additionally perforated, their structure assumes vastly enhanced functionality and becomes the basis for e.g. double negative refractive index metamaterials and superabsorbers. In this work we consider 1D plasmonic crystal consisting of alternating metallic and dielectric layers perforated by an array of conical holes tapering off as they penetrate the multilayer. We utilized the finite element method (Comsol multiphysics®) to calculate the response of our proposed structures - electromagnetic field intensity and frequency dispersion of scattering parameters. Utilizing at the same time a multilayer and perforations with a varying cross section simultaneously broadens the useful spectrum and allows for additional plasmonic modes. In addition to an enhanced absorption associated with the plasmonic modes, the functionality of the structure is further increased by allowing spectral selection of dielectric layers with strong light localization. The proposed structure can be used for a multitude of practical applications. They include (but are not limited to) an alternative approach to superabsorber design, the enhancement of the performance of multianalyte biochemical sensors, photo detectors, solar cells and photocatalysts, as well as optical switching.
Marko V. Bošković, Biljana Šljukić, Dana Vasiljević Radović, Katarina Radulović, Milena Rašljić Rafajilović, Miloš Frantlović, and Milija Sarajlić
MDPI AG
A detailed examination of the principle of operation behind the functioning of the full-self-powered humidity sensor is presented. The sensor has been realized as a structure consisting of an interdigitated capacitor with aluminum thin-film digits. In this work, the details of its fabrication and activation are described in detail. The performed XRD, FTIR, SEM, AFM, and EIS analyses, as well as noise measurements, revealed that the dominant process of electricity generation is the electrochemical reaction between the sensor’s aluminum electrodes and the water from humid air in the presence of oxygen, which was the main goal of this work. The response of the sensor to human breath is also presented as a demonstration of its possible practical application.
Ana Filipović, Zdravko Džambaski, Dana Vasiljević-Radović, and Bojan P. Bondžić
Royal Society of Chemistry (RSC)
Visible light promoted C(sp3)–H functionalization ofN-aryl-protected tetrahydroisoquinolines under microflow conditions with various coupling partners in excellent yields and efficiencies.
Stevan Andrić, Tijana Tomašević-Ilić, Marko V Bošković, Milija Sarajlić, Dana Vasiljević-Radović, Milče M Smiljanić, and Marko Spasenović
IOP Publishing
Abstract Humidity sensing is important to a variety of technologies and industries, ranging from environmental and industrial monitoring to medical applications. Although humidity sensors abound, few available solutions are thin, transparent, compatible with large-area sensor production and flexible, and almost none are fast enough to perform human respiration monitoring through breath detection or real-time finger proximity monitoring via skin humidity sensing. This work describes chemiresistive graphene-based humidity sensors produced in few steps with facile liquid phase exfoliation followed by Langmuir–Blodgett assembly that enables active areas of practically any size. The graphene sensors provide a unique mix of performance parameters, exhibiting resistance changes up to 10% with varying humidity, linear performance over relative humidity (RH) levels between 8% and 95%, weak response to other constituents of air, flexibility, transparency of nearly 80%, and response times of 30 ms. The fast response to humidity is shown to be useful for respiration monitoring and real-time finger proximity detection, with potential applications in flexible touchless interactive panels.
Ivana O. Mladenović, Nebojša D. Nikolić, Jelena S. Lamovec, Dana Vasiljević-Radović, and Vesna Radojević
MDPI AG
The mechanical characteristics of electrochemically deposited copper coatings have been examined by application of two hardness composite models: the Chicot-Lesage (C-L) and the Cheng-Gao (C-G) models. The 10, 20, 40 and 60 µm thick fine-grained Cu coatings were electrodeposited on the brass by the regime of pulsating current (PC) at an average current density of 50 mA cm−2, and were characterized by scanning electron (SEM), atomic force (AFM) and optical (OM) microscopes. By application of the C-L model we determined a limiting relative indentation depth (RID) value that separates the area of the coating hardness from that with a strong effect of the substrate on the measured composite hardness. The coating hardness values in the 0.9418–1.1399 GPa range, obtained by the C-G model, confirmed the assumption that the Cu coatings on the brass belongs to the “soft film on hard substrate” composite hardness system. The obtained stress exponents in the 4.35–7.69 range at an applied load of 0.49 N indicated that the dominant creep mechanism is the dislocation creep and the dislocation climb. The obtained mechanical characteristics were compared with those recently obtained on the Si(111) substrate, and the effects of substrate characteristics such as hardness and roughness on the mechanical characteristics of the electrodeposited Cu coatings were discussed and explained.
Marko V Bošković, Milija Sarajlić, Miloš Frantlović, Milče M Smiljanić, Danijela V Randjelović, Katarina Cvetanović Zobenica, and Dana Vasiljević Radović
Elsevier BV
Olga Jakšić, Marko Spasenović, Zoran Jakšić, and Dana Vasiljević-Radović
MDPI AG
Surface density of adsorption sites on an adsorbent (including affinity-based sensors) is one of the basic input parameters in modeling of process kinetics in adsorption based devices. Yet, there is no simple expression suitable for fast calculations in current multiscale models. The published experimental data are often application-specific and related to the equilibrium surface density of adsorbate molecules. Based on the known density of adsorbed gas molecules and the surface coverage, both of these in equilibrium, we obtained an equation for the surface density of adsorption sites. We applied our analysis to the case of pristine graphene and thus estimated molecular dynamics of adsorption on it. The monolayer coverage was determined for various pressures and temperatures. The results are verified by comparison with literature data. The results may be applicable to modeling of the surface density of adsorption sites for gas adsorption on other homogeneous crystallographic surfaces. In addition to it, the obtained analytical expressions are suitable for training artificial neural networks determining the surface density of adsorption sites on a graphene surface based on the known binding energy, temperature, mass of adsorbate molecules and their affinity towards graphene. The latter is of interest for multiscale modelling.