{"title":"利用特定几何形状的纳米管对非法药物分子进行稳定而强大的鉴别传感","authors":"","doi":"10.1016/j.nanoso.2024.101281","DOIUrl":null,"url":null,"abstract":"<div><p>The possibility of detecting and discriminating drug molecules is of utmost importance for several areas, including such important fields as security, public health and industry. The adequate detection of this type of substances then affects key sectors of society and is the subject of several studies and works that attempt to improve such detection and discrimination. Among the new devices used to detect drug molecules, the development, both experimental and theoretical, of nanosensors plays an increasingly important role and is expected to significantly increase the pace of progress in this field. In this work we have calculated the electronic and transport properties of a series of nanoscale devices based on carbon nanotubes and metallic heteronanotubes with hBN strips. These devices are specifically designed to sense drug molecules of a certain size and discriminate between three of them, namely cocaine, heroin, and morphine. We have found that the devices can effectively feel the presence of the drug molecules and distinguish between them through changes in the transmission, the conductance and the current. We have also found that such quantities depend on the angle of orientation, which shows that these systems have also the potential to determine the angle at which the molecule passes through it, i.e. to angularly discriminate between them. Furthermore, we have computed the Seebeck coefficient and found that such quantity can also be utilized to distinguish between the compounds. We have in addition found that the compounds behave as acceptors (they acquire charge) when the walls of the device are nanotubes and as donors (they lose charge) when the nanotube walls are heteronanotubes. Finally, we calculated the binding energies and found that the systems are exothermic. Such energies are not, however, big enough to promote the stick of the molecules to the walls of the devices, which shows the suitability of them for sensing the compounds.</p></div>","PeriodicalId":397,"journal":{"name":"Nano-Structures & Nano-Objects","volume":null,"pages":null},"PeriodicalIF":5.4500,"publicationDate":"2024-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2352507X24001926/pdfft?md5=26abec3695d9339d4ae16debc9128195&pid=1-s2.0-S2352507X24001926-main.pdf","citationCount":"0","resultStr":"{\"title\":\"Stable and robust discriminative sensing of illicit drug molecules utilizing a specific geometry of nanotubes\",\"authors\":\"\",\"doi\":\"10.1016/j.nanoso.2024.101281\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The possibility of detecting and discriminating drug molecules is of utmost importance for several areas, including such important fields as security, public health and industry. The adequate detection of this type of substances then affects key sectors of society and is the subject of several studies and works that attempt to improve such detection and discrimination. Among the new devices used to detect drug molecules, the development, both experimental and theoretical, of nanosensors plays an increasingly important role and is expected to significantly increase the pace of progress in this field. In this work we have calculated the electronic and transport properties of a series of nanoscale devices based on carbon nanotubes and metallic heteronanotubes with hBN strips. These devices are specifically designed to sense drug molecules of a certain size and discriminate between three of them, namely cocaine, heroin, and morphine. We have found that the devices can effectively feel the presence of the drug molecules and distinguish between them through changes in the transmission, the conductance and the current. We have also found that such quantities depend on the angle of orientation, which shows that these systems have also the potential to determine the angle at which the molecule passes through it, i.e. to angularly discriminate between them. Furthermore, we have computed the Seebeck coefficient and found that such quantity can also be utilized to distinguish between the compounds. We have in addition found that the compounds behave as acceptors (they acquire charge) when the walls of the device are nanotubes and as donors (they lose charge) when the nanotube walls are heteronanotubes. Finally, we calculated the binding energies and found that the systems are exothermic. Such energies are not, however, big enough to promote the stick of the molecules to the walls of the devices, which shows the suitability of them for sensing the compounds.</p></div>\",\"PeriodicalId\":397,\"journal\":{\"name\":\"Nano-Structures & Nano-Objects\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":5.4500,\"publicationDate\":\"2024-07-26\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.sciencedirect.com/science/article/pii/S2352507X24001926/pdfft?md5=26abec3695d9339d4ae16debc9128195&pid=1-s2.0-S2352507X24001926-main.pdf\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Nano-Structures & Nano-Objects\",\"FirstCategoryId\":\"1\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2352507X24001926\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"Physics and Astronomy\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Nano-Structures & Nano-Objects","FirstCategoryId":"1","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2352507X24001926","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"Physics and Astronomy","Score":null,"Total":0}
Stable and robust discriminative sensing of illicit drug molecules utilizing a specific geometry of nanotubes
The possibility of detecting and discriminating drug molecules is of utmost importance for several areas, including such important fields as security, public health and industry. The adequate detection of this type of substances then affects key sectors of society and is the subject of several studies and works that attempt to improve such detection and discrimination. Among the new devices used to detect drug molecules, the development, both experimental and theoretical, of nanosensors plays an increasingly important role and is expected to significantly increase the pace of progress in this field. In this work we have calculated the electronic and transport properties of a series of nanoscale devices based on carbon nanotubes and metallic heteronanotubes with hBN strips. These devices are specifically designed to sense drug molecules of a certain size and discriminate between three of them, namely cocaine, heroin, and morphine. We have found that the devices can effectively feel the presence of the drug molecules and distinguish between them through changes in the transmission, the conductance and the current. We have also found that such quantities depend on the angle of orientation, which shows that these systems have also the potential to determine the angle at which the molecule passes through it, i.e. to angularly discriminate between them. Furthermore, we have computed the Seebeck coefficient and found that such quantity can also be utilized to distinguish between the compounds. We have in addition found that the compounds behave as acceptors (they acquire charge) when the walls of the device are nanotubes and as donors (they lose charge) when the nanotube walls are heteronanotubes. Finally, we calculated the binding energies and found that the systems are exothermic. Such energies are not, however, big enough to promote the stick of the molecules to the walls of the devices, which shows the suitability of them for sensing the compounds.
期刊介绍:
Nano-Structures & Nano-Objects is a new journal devoted to all aspects of the synthesis and the properties of this new flourishing domain. The journal is devoted to novel architectures at the nano-level with an emphasis on new synthesis and characterization methods. The journal is focused on the objects rather than on their applications. However, the research for new applications of original nano-structures & nano-objects in various fields such as nano-electronics, energy conversion, catalysis, drug delivery and nano-medicine is also welcome. The scope of Nano-Structures & Nano-Objects involves: -Metal and alloy nanoparticles with complex nanostructures such as shape control, core-shell and dumbells -Oxide nanoparticles and nanostructures, with complex oxide/metal, oxide/surface and oxide /organic interfaces -Inorganic semi-conducting nanoparticles (quantum dots) with an emphasis on new phases, structures, shapes and complexity -Nanostructures involving molecular inorganic species such as nanoparticles of coordination compounds, molecular magnets, spin transition nanoparticles etc. or organic nano-objects, in particular for molecular electronics -Nanostructured materials such as nano-MOFs and nano-zeolites -Hetero-junctions between molecules and nano-objects, between different nano-objects & nanostructures or between nano-objects & nanostructures and surfaces -Methods of characterization specific of the nano size or adapted for the nano size such as X-ray and neutron scattering, light scattering, NMR, Raman, Plasmonics, near field microscopies, various TEM and SEM techniques, magnetic studies, etc .