Journal Pre-proof Methanol gas sensing properties of transition metals (V, Cr, and Mn)-doped BC3 flake (original) (raw)
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Ab initio study of Ti-doped C 3 N nanosheet as COCl 2 , O 3 , and HCN gas sensor
Computational and Theoretical Chemistry, 2024
In the present study, we designed the pristine C 3 N and Ti-doped C 3 N nanosheets to investigate the geometrical, electrical, and optical properties using density functional theory calculation. The negative value of the cohesive energy of both nanosheets indicates the structures are energetically stable. Ti-doping in C 3 N results in a conductor-to-semiconductor transition with a band gap of 0.15 eV. We studied the adsorption of COCl 2 , O 3 , and HCN gas molecules on the designed structures. The adsorption energy for COCl 2 , O 3 , and HCN gases significantly increased to − 8.63, − 9.80, and − 5.98 eV respectively after Ti-doping. A significant variation in the band gap of Ti-doped C 3 N is observed due to gas adsorption. The complex structures show a high absorption coefficient of over 10 4 cm − 1 in the visible range with a significant red/blue shifting of absorption peaks. The study proves the Ti-doped C 3 N to be a potential candidate for sensing COCl 2 , O 3 , and HCN gases.
Handbook of Gas Sensor Materials
Integrated Analytical Systems, 2014
This comprehensive and interdisciplinary series offers the most recent advances in all key aspects of development and applications of modern instrumentation for chemical and biological analysis on the microscale. These key aspects will include (1) innovations in sample introduction through micro-and nano-fl uidic designs, (2) new types and methods of fabrication of physical transducers and ion detectors, (3) materials for sensors that became available due to the breakthroughs in combinatorial materials science and nanotechnology, and (4) innovative data processing and mining methodologies that provide dramatically reduced rates of false alarms. Clearly, a true multidisciplinary effort is required to meet objectives for a system with previously unavailable capabilities. This cross-discipline fertilization is driven by the expanding need for chemical and biological detection and monitoring and leads to the creation of instruments with new capabilities for new demanding applications. Indeed, instruments with more sensitivity are required today to analyze ultra-trace levels of environmental pollutants, pathogens in water, and low vapor pressure energetic materials in air. Sensor devices with faster response times are desired to monitor transient in-vivo events and bedside patients. More selective instruments are wanted to analyze specifi c proteins in vitro and analyze ambient urban or battlefi eld air. For these and many other applications, new features of modern microanalytical instrumentation are urgently needed. This book series is a primary source of both fundamental and practical information on both the current state of the art and future directions for microanalytical instrumentation technologies. This book series is addressed to the rapidly growing number of active practitioners and developers and those who are interested in starting research in this direction, directors of industrial and government research centers, laboratory supervisors and managers, students and lecturers.
Materials for solid-state gas sensors
Inorganic Materials, 2000
The major problems in the development of inorganic gas-sensor materials are discussed. The general principle of semiconductor gas sensors is considered, and the band-structure parameters sensitive to the gas-phase composition are determined. Ways of improving sensor selectivity are examined. The composition, microstructure, and gas sensitivity of nanocrystalline SnO 2 and ZnO are investigated. The dopant content and grain size of Ni-doped SnO 2 are optimized for H2S detection. The prospects of employing systems of two or more nanocrystalline oxides (nanocomposites) for gas detection are discussed.
On the interest of ambipolar materials for gas sensing
Sensors and Actuators B: Chemical
Ambipolar materials exhibit a unique feature in chemosensing. Humidity can act as a trigger between p and n-type behaviors. The tuning of the electronic properties of sensing materials is of importance.
Applied Surface Science, 2023
In the present study, Cobalt (Co) and Manganese (Mn) doped Boron Nitride nanosheet (BNNS) has been designed for density functional theory calculation. The variation in structural, electronic, and optical properties of BNNS due to Co and Mn doping has been studied along with the gas sensing ability of the designed nanosheets towards CH 4 , H 2 S, NH 3 , O 3 , PH 3 , and SO 2 hazardous gases. Co and Mn doping in the BNNS result in an insulator-toconductor and insulator-to-semiconductor transition, respectively. Co and Mn-doped BNNS show a stronger interaction with the selected gases resulting in high adsorption energy. The designed sheets show the strongest interaction with the O 3 molecule resulting in a very high recovery time. Though doping results in significant structural deformation of the BNNS, a slight variation in bond length is observed due to gas adsorption. BNNS demonstrate a substantial drop in the band gap due to O 3 and SO 2 adsorption. In other cases, significant variations in the band gap of all the designed sheets are observed after gas adsorption. All the structures show a very high absorption coefficient of 10 5 cm − 1 order which shows a slight peak shifting due to the interaction with toxic gases.
A new CO< sub> 2 gas sensing material
Sensors and Actuators B: …, 2003
A new material for CO 2 sensing based on resistive changes is described. Using hydrated LaCl 3 as precursor and through two different synthesis routes-simple oxidation and a sol-gel-derived method-LaOCl powders are obtained. The main sensing characteristics of these powders are analysed, with special emphasis on (a) their response to CO 2 at a wide range of relative humidities and (b) their cross-sensitivity with CO. Compared with other metal oxide-based materials, lanthanum oxychloride offers a low working temperature and an improved sensor response in both dry and humid atmospheres.
Trace Level Gas Sensing Characteristics of Nano-Crystalline Silver Decamolybdate
Soft Nanoscience Letters, 2013
A soft-chemical method has been developed for the synthesis of nano-crystalline powders of silver decamolybdate. Gas sensing characteristics of this composition both in porous pellet and thin film configurations were investigated. The compound Ag 6 Mo 10 O 33 was found to sense selectively ammonia at 503 K. Above 503 K it has significant cross sensitivity to petroleum gas (PG). Spin coated thin films exhibited selective sensing towards PG.
Sensors and Actuators B: Chemical, 2008
Novel hybrid gas-sensitive materials were fabricated by means of metal-decorated multiwall carbon nanotubes (MWCNT) dispersed on nanoparticle metal oxides. The MWCNT were initially functionalized in an oxygen plasma for improving their dispersion and surface reactivity, and then they were decorated with metal nano-clusters by thermally evaporating gold or silver on the MWCNT. Active layers for gas sensing applications were obtained by adding a small amount of metal-decorated MWCNT to two different types of metal oxides (SnO 2 and WO 3 ). The hybrid materials have been analyzed by means of XPS, TEM and SEM. The gas sensing potential of the fabricated hybrid materials has been tested upon exposure to different hazardous species, specifically NO 2 , CO, C 6 H 6 and NH 3 , at low operating temperature. research topic consists of gas sensors based on plasma functionalised carbon nanotubes.