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

• using the nanocomposite materials which in turn enhances the sensitivity of the gas sensors. Keywords: CO gas; COMSOL Multiphysics; gas sensor; surface coverage; SWCNT/PEDOT:PSS; Introduction The field of nanotechnology has brought significant advancements in various scientific and engineering

• showed high sensitivity towards strong electron-withdrawing molecules for NO2 gas detection [10]. To simulate gas adsorption in COMSOL Multiphysics for a gas sensor, several adsorption models can be employed depending on the physical and chemical behavior of the sensor. Commonly used models include the

• crucial for understanding the adsorption mechanism in a system and predicting its behavior [17]. Methods Gas sensor analysis with COMSOL Multiphysics To implement the methodology from the flow chart in Figure 1, we begin with pre-processing. During this step, we define the domain with physics modules

Modeling a multiple-chain emeraldine gas sensor for NH₃ and NO₂ detection

• Hana Sustkova and
• Jan Voves

Beilstein J. Nanotechnol. 2022, 13, 721–729, doi:10.3762/bjnano.13.64

• numerically modeled for several adsorbed gas concentrations, several gas configurations, and different PANI molecule positions, including carrier hopping between them. The results are comparable to the experiment and show good properties for the application as gas sensor device for NH3 detection and rather

• good properties for NO2 detection. Keywords: ammonia; gas sensor; nitrogen dioxide; numerical computation; polyaniline; Introduction Polyaniline is a conducting polymer consisting of benzene rings connected by nitrogen units, which can be used in a wide spectrum of applications, for example, dyes for

• resistance [6]. In the work of Kroutil et al. [7], a polyaniline gas sensor setup was used for measuring NH3, NO2, and other gases. Ammonia should be, according to these results, the gas that most affects the polyaniline resistance; nitrogen dioxide moderately affects the resistance. Many electronic and

A chemiresistive sensor array based on polyaniline nanocomposites and machine learning classification

• Jiri Kroutil,
• Alexandr Laposa,
• Ali Ahmad,
• Jan Voves,
• Vojtech Povolny,
• Ladislav Klimsa,
• Marina Davydova and
• Miroslav Husak

Beilstein J. Nanotechnol. 2022, 13, 411–423, doi:10.3762/bjnano.13.34

• 1999/2, 182 21 Prague, Czech Republic 10.3762/bjnano.13.34 Abstract The selective detection of ammonia (NH3), nitrogen dioxide (NO2), carbon oxides (CO2 and CO), acetone ((CH3)2CO), and toluene (C6H5CH3) is investigated by means of a gas sensor array based on polyaniline nanocomposites. The array

• data by principal component analysis to be a highly accurate method reach to 99% of the classification of six different gases. Keywords: feature extraction; gas sensor; pattern recognition; sensor array; Introduction The control and monitoring of toxic gaseous substances, such as ammonia, nitrogen

• been used for the classification of gas sensor data using a 10-fold cross-validation to reach the highest classification rate. Results and Discussion The sensors layers were investigated by scanning electron microcopy (SEM), Raman spectroscopy, current–voltage and temperature analysis, and gas sensing

Tin dioxide nanomaterial-based photocatalysts for nitrogen oxide oxidation: a review

• Viet Van Pham,
• Hong-Huy Tran,
• Thao Kim Truong and
• Thi Minh Cao

Beilstein J. Nanotechnol. 2022, 13, 96–113, doi:10.3762/bjnano.13.7

• morphologies will affect the properties of SnO2 regarding gas sensor activity and optical, electrical, and electrochemical properties [60][61][62][63]. The typical properties of SnO2 are significantly affected by the effective surface area of different nanomaterial morphologies [63][64][65]. Wang et al. [66

Morphology-driven gas sensing by fabricated fractals: A review

• Vishal Kamathe and
• Rupali Nagar

Beilstein J. Nanotechnol. 2021, 12, 1187–1208, doi:10.3762/bjnano.12.88

• to be possessing better gas sensing capabilities. Fab-fracs with these salient features will help in designing the commercial gas sensors with better performance. Keywords: adsorption sites; fabricated fractal; fractal dimension; gas sensor; morphology; pore network; recovery time; response time

• ) [10][11][12][13][14][15][16], nanorods [17][18][19][20], nanosheets [21][22][23], nanobelts [24][25], and nano/micro-spheres/cubes/polyhedrons [26][27][28][29] with enhanced sensitivity as a gas sensor. A rich collection of research articles and review papers on distinct morphological nanostructured

• branched objects [49][55][56]. Figure 3 shows different morphologies of large-scale SnO2 fab-fracs grown under controlled lab conditions. The study of the specific surface becomes important for understanding the growth of such structures and investigating the gas sensor characteristics when such structures

Nanogenerator-based self-powered sensors for data collection

• Yicheng Shao,
• Maoliang Shen,
• Yuankai Zhou,
• Xin Cui,
• Lijie Li and
• Yan Zhang

Beilstein J. Nanotechnol. 2021, 12, 680–693, doi:10.3762/bjnano.12.54

• (MOS) gas sensors, the PENG/TENG-based self-powered gas sensor has a lower power consumption, requires no heating, and exhibits high stability and high sensitivity. In 2013, Xue et al. proposed a ZnO NWs PENG-based self-powered gas sensor [18]. The response of the unpackaged PENG sensor was studied

• to the test gas. The sensitivity of above ZnO-based self-powered sensor is 127.3% under 1000 ppm H2S. The piezoelectric output of sensor decreased with increase of the concentration of the tested gas, as shown in Figure 5e. In 2016, a self-powered gas sensor based on a NiO/ZnO heterojunction nanowire

• stronger regulating effect on the piezoelectric filtration of free carriers. A ZnO-based self-powered gas sensor (SPGS) can be used to detect H2S, NH3 [96][97], ethanol [91][98][99][100], CO2 [101][102] and other gases [103][104][105]. A ZnSnO3/ZnO NW-based PENG was used to detect liquefied petroleum gas

Simulation of gas sensing with a triboelectric nanogenerator

• Kaiqin Zhao,
• Hua Gan,
• Huan Li,
• Ziyu Liu and
• Zhiyuan Zhu

Beilstein J. Nanotechnol. 2021, 12, 507–516, doi:10.3762/bjnano.12.41

• gas and the different gas injection areas. This work contributes to the area of self-powered gas sensing. Keywords: gas; sensor; triboelectric nanogenerator (TENG); Introduction With economic development and social progress, there is an increasing demand for wearable [1][2][3][4], medical [5], and

• presence of a specific gas or the content of gas in ambient air. Therefore, gas sensors are usually indispensable in safety systems. Ordinary sensors need to be charged externally, and once the power is used up, the gas sensor loses its function. TENGs generate electricity that can be used for developing

• that of the right-angled side. It can be concluded that the rectangular TENG is economical and can achieve good electronic output. We considered designing a TENG-based gas sensor that could be used to detect different gases under real-life conditions. When, in contact separation mode, two triboelectric

Nickel nanoparticle-decorated reduced graphene oxide/WO₃ nanocomposite – a promising candidate for gas sensing

• Ilka Simon,
• Alexandr Savitsky,
• Rolf Mülhaupt,
• Vladimir Pankov and
• Christoph Janiak

Beilstein J. Nanotechnol. 2021, 12, 343–353, doi:10.3762/bjnano.12.28

• pollutants and their emissions are harmful for humans and ecosystems [1]. Sensor materials that can detect the type and concentration of these gases are therefore needed in various kinds of environments and industries [2]. A gas sensor should be highly sensitive and highly selective with a fast response and

• , and greater stability than pure WO3 [20]. WO3 decorated with palladium nanoparticles on the surface can be used as an improved and reusable gas sensor for NH3 [21]. Metal oxide semiconductor junctions can either be formed between two p-type MOS or two n-type MOS (p–p/n–n homojunctions) or between a p

Gas-sensing features of nanostructured tellurium thin films

• Dumitru Tsiulyanu

Beilstein J. Nanotechnol. 2020, 11, 1010–1018, doi:10.3762/bjnano.11.85

• ] started to thoroughly investigate the use of Te thin films as an active element in gas sensor manufacturing. They showed that microcrystalline Te thin films, grown by thermal vacuum evaporation, exhibit high sensitivity to low concentrations (ppm range) of nitrogen dioxide (NO2) even at room temperature

Synthesis and acetone sensing properties of ZnFe₂O₄/rGO gas sensors

• Kaidi Wu,
• Yifan Luo,
• Ying Li and
• Chao Zhang

Beilstein J. Nanotechnol. 2019, 10, 2516–2526, doi:10.3762/bjnano.10.242

• about 600–1000 nm. The gas sensing test revealed that the introduction of rGO improved the performance of the sensing of acetone to low concentration, and the ZnFe2O4/rGO composite gas sensor containing 0.5 wt % of rGO exhibited a high sensitivity in sensing test using 0.8–100 ppm acetone at 200 °C. The

• ; composites; gas sensor; reduced graphene oxide (rGO); ZnFe2O4 hollow spheres; Introduction As a synthetic raw material in industrial production, acetone is chemically active and extremely flammable. It is toxic if its concentration exceeds 173 ppm, and long-term exposure to acetone poses a serious threat to

• ][25][26][27][28]. An optimum ratio of the composition and the fine nanostructure will contribute to obtaining better gas-sensing properties. A gas sensor with 3 wt % reduced graphene oxide (rGO) incorporated into In2O3 showed a rapid response, an improved stability and a low limit of detection of NO2

Multiwalled carbon nanotube based aromatic volatile organic compound sensor: sensitivity enhancement through 1-hexadecanethiol functionalisation

• Nadra Bohli,
• Meryem Belkilani,
• Juan Casanova-Chafer,
• Eduard Llobet and
• Adnane Abdelghani

Beilstein J. Nanotechnol. 2019, 10, 2364–2373, doi:10.3762/bjnano.10.227

• of trace concentrations of toluene in exhaled breath is associated with lung cancer and can therefore be considered as a biomarker for this pathology [2][3][4]. A gas sensor is generally composed of an active sensing film or material deposited on an electrode. The sensing performance is strongly

Review of advanced sensor devices employing nanoarchitectonics concepts

• Katsuhiko Ariga,
• Tatsuyuki Makita,
• Masato Ito,
• Taizo Mori,
• Shun Watanabe and
• Jun Takeya

Beilstein J. Nanotechnol. 2019, 10, 2014–2030, doi:10.3762/bjnano.10.198

• nanoarchitectonic control of the structure results in high sensitivity and selectivity. The nanoporous architectures of metal–organic frameworks can also serve as filters for molecular selection. Fan and co-workers prepared an electrical gas sensor for formaldehyde with high selectivity using the molecular sieving

High-temperature resistive gas sensors based on ZnO/SiC nanocomposites

• Vadim B. Platonov,
• Marina N. Rumyantseva,
• Alexander S. Frolov,
• Alexey D. Yapryntsev and
• Alexander M. Gaskov

Beilstein J. Nanotechnol. 2019, 10, 1537–1547, doi:10.3762/bjnano.10.151

• an n–n heterojunction at the ZnO/SiC interface. Keywords: electrospinning; high temperature gas sensor; n–n heterojunction; ZnO/SiC nanocomposite; Introduction The risk of air pollution is growing due to the development of new technologies in the chemical, metallurgical and food industries, the use

• , ultrathin fibers of SiC and metal oxides as well as MO/SiC composites from polymer solutions [16][17][18][19]. The combination of unlimited length, highly porous microstructure, and high surface area come together to create ideal gas sensor materials. In this work, we prepared ZnO/SiC nanocomposite

• convolution functions with simultaneous optimization of the background parameters. The background was simulated using a combination of a Shirley and a Tougaard background. The binding energies (BE) were corrected for the charge shift using the C 1s peak of graphitic carbon (BE = 284.8 eV) as a reference. Gas

Selective gas detection using Mn₃O₄/WO₃ composites as a sensing layer

• Yongjiao Sun,
• Zhichao Yu,
• Wenda Wang,
• Pengwei Li,
• Gang Li,
• Wendong Zhang,
• Lin Chen,
• Serge Zhuivkov and
• Jie Hu

Beilstein J. Nanotechnol. 2019, 10, 1423–1433, doi:10.3762/bjnano.10.140

• % Mn3O4/WO3 composite gas sensor showed the best sensing performance with the highest response and selectivity. Our results indicate that highly sensitive and selective Mn3O4/WO3 composites can be an effective material for the recognition and detection of noxious gases. Results and Discussion Structural

• features provide the possibility of selective detection of different gases using one gas sensor. In addition, it can be found that the 1 atom % and 3 atom % Mn3O4/WO3 composites showed superior selectivity compared with the other two sensors. Given its higher response, we chose the 3 atom % Mn3O4/WO3

• composite sample as the research object for further study. To further investigate the sensing properties of the 3 atom % Mn3O4/WO3 composite based gas sensor, real-time response transient experiments were conducted on all sensors. Figure 8 displays the dynamic response–recovery curves toward H2S at 90 °C

A carrier velocity model for electrical detection of gas molecules

• Ali Hosseingholi Pourasl,
• Sharifah Hafizah Syed Ariffin,
• Mohammad Taghi Ahmadi,
• Razali Ismail and
• Niayesh Gharaei

Beilstein J. Nanotechnol. 2019, 10, 644–653, doi:10.3762/bjnano.10.64

• the AGNR sensor that are simulated based both on the proposed model and first principles calculations are compared, and an acceptable agreement is achieved. Keywords: armchair graphene nanoribbons; carrier velocity; gas sensor; I–V characteristics; molecular adsorption; Introduction The unique

• nanowires and carbon nanotubes, GNRs possess high sensitivity, high electron and hole mobility, chemical stability, low noise, and a large surface-to-volume ratio, properties which are highly desired for gas sensor applications. Electrically, GNRs have shown high sensitivity to their surroundings and

• sensors are used to develop a new gas sensor model based on the carrier velocity and I–V characteristics. In addition, a first principle simulation study is employed for the band structure analysis, to calculate the charge transfer, and to evaluate the proposed models. For the sensor structure, an

Sub-wavelength waveguide properties of 1D and surface-functionalized SnO₂ nanostructures of various morphologies

• Venkataramana Bonu,
• Binaya Kumar Sahu,
• Arindam Das,
• Sankarakumar Amirthapandian,
• Sandip Dhara and
• Harish C. Barshilia

Beilstein J. Nanotechnol. 2019, 10, 379–388, doi:10.3762/bjnano.10.37

• commercial application as a gas sensor, transparent conducting electrodes, and catalyst [13][14][15]. SnO2 NSs have been used in several other areas such as sub-wavelength waveguide sensors [4], microelectronics [6], Li-ion batteries [16], and lubricants [17]. Oxygen vacancy related defects in SnO2

Wet chemistry route for the decoration of carbon nanotubes with iron oxide nanoparticles for gas sensing

• Hussam M. Elnabawy,
• Juan Casanova-Chafer,
• Badawi Anis,
• Mostafa Fedawy,
• Mattia Scardamaglia,
• Carla Bittencourt,
• Ahmed S. G. Khalil,
• Eduard Llobet and
• Xavier Vilanova

Beilstein J. Nanotechnol. 2019, 10, 105–118, doi:10.3762/bjnano.10.10

• with iron oxide nanoparticles substantially ameliorated the response towards nitrogen dioxide. Keywords: benzene detection; doping; gas sensor; metal nanoparticle decoration; multiwalled carbon nanotubes; NO2 detection; room temperature gas sensing; surface modification; Introduction Carbon nanotubes

• ) well below air quality guidelines [24][25], which indicates the importance of fabricating such a gas sensor to be used in different applications. In this paper, we report on a wet chemistry route that was successfully employed to chemically modify CNTs by decorating them with iron oxide nanoparticles

Graphene-enhanced metal oxide gas sensors at room temperature: a review

• Dongjin Sun,
• Yifan Luo,
• Marc Debliquy and
• Chao Zhang

Beilstein J. Nanotechnol. 2018, 9, 2832–2844, doi:10.3762/bjnano.9.264

• . The improved experimental schemes are raised and the critical research directions of graphene/metal-oxide sensors in the future are proposed. Keywords: gas sensor; graphene; metal oxide; nitrogen dioxide (NO2); room temperature; Review Introduction Since the discovery by Novoselov and Geim [1

• ]. The oxygen functional groups that locate on the surface of rGO lead to an electron transfer from rGO to oxygen functional groups, and holes become the main charge carriers, indicating that rGO acts as a p-type semiconductor [14][15][16]. Zhang et al. [17] prepared rGO room-temperature gas sensor with

• porous structure and defects for detecting NO2. The sensor showed high sensitivity to NO2 at low concentrations. In another work, Hu et al. [18] fabricated an ultra-sensitive rGO gas sensor, which reached a response of 2.4% to 1 ppb NH3 with an ultra-fast response time of 1.4 s at room temperature. The

Electrospun one-dimensional nanostructures: a new horizon for gas sensing materials

• Muhammad Imran,
• Nunzio Motta and
• Mahnaz Shafiei

Beilstein J. Nanotechnol. 2018, 9, 2128–2170, doi:10.3762/bjnano.9.202

• sensors have found widespread commercial applications [91][92] due to their simplicity and enhanced gas sensing performance (high sensitivity, fast response/recovery and low operating temperature) and low cost. A typical conductometric gas sensor consists of an active sensing layer in which conductivity

• by doping with rare earth metals, e.g., Pr2+, Sr2+, and Y [5][7][177]. Many ethanol sensors have similar cross-sensitivity between ethanol and acetone. The sensitivity of a SnO2 gas sensor has been selectively increased from ≈10.8 to ≈18.9 toward 100 ppm of ethanol and the sensitivity toward 100 ppm

Free-radical gases on two-dimensional transition-metal disulfides (XS₂, X = Mo/W): robust half-metallicity for efficient nitrogen oxide sensors

• Chunmei Zhang,
• Yalong Jiao,
• Fengxian Ma,
• Sri Kasi Matta,
• Steven Bottle and
• Aijun Du

Beilstein J. Nanotechnol. 2018, 9, 1641–1646, doi:10.3762/bjnano.9.156

• the gas molecules remains unclear. In addition to MoS2, 2D WS2 is expected to be a more promising material as gas sensor because of its higher thermal stability and wider temperature range of operation [18]. Synthesized FETs layered with WS2 are also reported as attractive electronic devices [27

Facile chemical routes to mesoporous silver substrates for SERS analysis

• Elina A. Tastekova,
• Alexander Y. Polyakov,
• Anastasia E. Goldt,
• Alexander V. Sidorov,
• Alexandra A. Oshmyanskaya,
• Irina V. Sukhorukova,
• Dmitry V. Shtansky,
• Wolgang Grünert and
• Anastasia V. Grigorieva

Beilstein J. Nanotechnol. 2018, 9, 880–889, doi:10.3762/bjnano.9.82

• long time in air. Mesoporous noble metals are mostly used as catalysts for high surface energy, gas sensor components, cell imaging mediators, etc. [5]. The most popular methods for mesoporous metal processing include acidic etching of bimetallic molts [6], electrochemical dealloying [7

Surface-plasmon-enhanced ultraviolet emission of Au-decorated ZnO structures for gas sensing and photocatalytic devices

• T. Anh Thu Do,
• Truong Giang Ho,
• Thu Hoai Bui,
• Quang Ngan Pham,
• Hong Thai Giang,
• Thi Thu Do,
• Duc Van Nguyen and
• Dai Lam Tran

Beilstein J. Nanotechnol. 2018, 9, 771–779, doi:10.3762/bjnano.9.70

• and reasonably fast response/recovery time were reported for a gas sensor based on Au-decorated ZnO structures. The highest selectivity towards NO2 was compared to other combustion gases such as CO, and C3H8. In addition, the photocatalytic decomposition of organic dyes under sunlight using PL

Sensing behavior of flower-shaped MoS₂ nanoflakes: case study with methanol and xylene

• Maryam Barzegar,
• Masoud Berahman and
• Azam Iraji zad

Beilstein J. Nanotechnol. 2018, 9, 608–615, doi:10.3762/bjnano.9.57

• functional theory; gas sensor; hydrothermal method; methanol; MoS2 nanoflakes; xylene vapor; Introduction Recent efforts in exploring two-dimensional (2D) materials have led to the introduction of a new family of materials known as transition metal dichalcogenides (TMDs), which show remarkable electrical

• various gas molecules [25][26]. Among these reports, the properties of flower-shaped MoS2 as a gas sensor is underestimated, hence in this paper, we demonstrate this potential. The flower-shaped MoS2 can easily be grown using the inexpensive hydrothermal technique with high quality and in large quantity

Gas-sensing behaviour of ZnO/diamond nanostructures

• Marina Davydova,
• Alexandr Laposa,
• Jiri Smarhak,
• Alexander Kromka,
• Neda Neykova,
• Josef Nahlik,
• Jiri Kroutil,
• Jan Drahokoupil and
• Jan Voves

Beilstein J. Nanotechnol. 2018, 9, 22–29, doi:10.3762/bjnano.9.4

• : density functional theory (DFT); gas sensor; interdigital electrodes; nanocrystalline diamond; sensitivity; zinc oxide (ZnO); Introduction Currently, a number of studies have been focused on developing gas sensors based on nanomaterials and/or nanostructures. Metal oxides are the most common sensing

• remarkable semiconducting properties [20][21]. For instance, hydrogen-terminated NCD films exhibit changes in their surface conductivity in the presence of phosgene and could be utilized as an integrator-type gas sensor [22][23]. Up to now, many research groups have focused on nitrogen dioxide (NO2) sensing

• . For instance, a hydrogen-terminated nanocone array exhibited a fast response time (4.7 s) towards 10 ppm of NO2 at 150 °C [13]. On the other hand, a room-temperature-operated gas sensor based on H-terminated diamond films showed a long response time and recovery time towards nitrogen dioxide [24

Metal oxide nanostructures: preparation, characterization and functional applications as chemical sensors

• Dario Zappa,
• Angela Bertuna,
• Elisabetta Comini,
• Navpreet Kaur,
• Nicola Poli,
• Veronica Sberveglieri and
• Giorgio Sberveglieri

Beilstein J. Nanotechnol. 2017, 8, 1205–1217, doi:10.3762/bjnano.8.122

• , the response of a metal oxide gas sensor is influenced also by the morphology, and specifically by the size of the nanostructures [21]. In this work, we investigate the preparation of low-dimensional metal oxide nanowires. However, because of the growth process used and the nature of the materials