Chemical sensors

Gründler, Peter

doi:10.1007/s40828-017-0052-x

Cited by 24 publications

(10 citation statements)

References 15 publications

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“…87 A large density of defects can promote interactions of molecules and metals with the GBM surface, 15,88 motivating the use of tuned and engineered defects. Lee et al demonstrated that controlled defects, such as sp 3 -hybridized carbons and vacancies in graphene, increase its detection sensitivity toward NH 3 and NO 2 by 614% and 33%, respectively, supporting this experimental result with DFT computations (Figure 4(a)). 15 The same behavior with ammonia was observed using graphene nanoribbons (GNRs).…”

Section: Structural Defectsmentioning

confidence: 53%

“…From medical diagnostics 1 to environmental sciences, 2 chemical sensors are indispensable in detecting minute quantities of complex analytes 3 . According to a precise definition by the International Union of Pure and Applied Chemistry (IUPAC), “a chemical sensor is a device that transforms chemical information, ranging from concentration of a specific sample component to total composition analysis, into an analytically useful signal.” 4 Depending on the nature of the chemical information to be ascertained and the physical properties (electric, magnetic, thermal, or optical) of the sensor that change upon interaction with the analyte, chemical sensors can be classified into one of several categories 5 (Figure 1).…”

Section: Introductionmentioning

confidence: 99%

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Sensing and sensitivity: Computational chemistry of graphene‐based sensors

Piras

Ehlert

Gryn’ova

2021

WIREs Comput Mol Sci

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Highly efficient, tunable, biocompatible, and environmentally friendly electrochemical sensors featuring graphene‐based materials pose a formidable challenge for computational chemistry. In silico rationalization, optimization and, ultimately, prediction of their performance requires exploring a vast structural space of potential surface‐analyte complexes, further complicated by the presence of various defects and functionalities within the infinite graphene lattice. This immense number of systems and their periodic nature greatly limit the choice of computational tools applicable at a reasonable cost. An alternative approach using finite nanoflake models opens the doors to many more advanced and accurate electronic structure methods, while sacrificing the realism of representation. Locating the surface‐analyte complex is followed by an in‐depth in silico analysis of its energetic and electronic properties using, for example, energy decomposition schemes, as well as simulation of the signal, for example, a zero‐bias transmission spectra or a current–voltage curve, by means of the nonequilibrium Green's function method. These and other properties are examined in the context of a sensor's selectivity, sensitivity, and limit of detection with an aim to establish design principles for future devices. Herein, we analyze the advantages and limitations of diverse computational chemistry methods used at each of these steps in simulating graphene‐based electrochemical sensors. We present outstanding challenges toward predictive models and sketch possible solutions involving such contemporary techniques as multiscale simulations and high‐throughput screening. This article is categorized under: Structure and Mechanism > Computational Materials Science Electronic Structure Theory > Density Functional Theory Electronic Structure Theory > Ab Initio Electronic Structure Methods

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Section: Structural Defectsmentioning

confidence: 53%

Section: Introductionmentioning

confidence: 99%

Sensing and sensitivity: Computational chemistry of graphene‐based sensors

Piras

Ehlert

Gryn’ova

2021

WIREs Comput Mol Sci

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“…The most important electrode developments were: ion selective electrodes, esp. the glass electrode [10] developed by Max Cremer, electrochemical gas sensors, e. g., the lambda probe, [11] which allowed to use three way catalytic converters in cars, surface modified electrodes and biosensors [12] …”

Section: Figurementioning

confidence: 99%

Essay for the Rosarium Philosophicum on Electrochemistry Electrochemical Analysis – What it was, is, and Possibly will be

Scholz

2020

Israel Journal of Chemistry

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In this essay a survey of the development of electrochemical analysis is given for the last two hundred years. It is shown that the great breakthroughs in this discipline were not predictable, as in all other sciences. The two centuries have led to an enormous diversification of electroanalytical techniques and analytical targets for which electroanalytical techniques can be applied most beneficially. Maintaining the experimental and theoretical expertise as part of the chemistry curricula at Universities is identified as a main task, now and in future.

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“… 15 − 17 A chemical sensor is a device that convert a chemical signal obtained via the interaction of a chemical analyte with an active sensing materials (such as MOX) into a measurable signal (optical, electrical, and magnetic etc.). 18 In the last two decades, chemoresistive sensors (measurable signal: resistance or conductance) have been extensively investigated to detect a large number of chemical analytes such as volatile organic compounds, 19 toxic gases, 20 explosives, 21 and environment pollutants. 22 The performance of these sensing devices largely depends upon the microstructural properties of the active sensing material.…”

Section: Introductionmentioning

confidence: 99%

One-Dimensional Nanostructured Oxide Chemoresistive Sensors

2020

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Day by day, the demand for portable, low cost, and efficient chemical/gas-sensing devices is increasing due to worldwide industrial growth for various purposes such as environmental monitoring and health care. To fulfill this demand, nanostructured metal oxides can be used as active materials for chemical/gas sensors due to their high crystallinity, remarkable physical/chemical properties, ease of synthesis, and low cost. In particular, (1D) one-dimensional metal oxides nanostructures, such as nanowires, exhibit a fast response, selectivity, and stability due to their high surface-to-volume ratio, well-defined crystal orientations, controlled unidirectional electrical properties, and self-heating phenomenon. Moreover, with the availability of large-scale production methods for nanowire growth such as thermal oxidation and evaporation–condensation growth, the development of highly efficient, low cost, portable, and stable chemical sensing devices is possible. In the last two decades, tremendous advances have been achieved in 1D nanostructured gas sensors ever since the pioneering work by Comini on the development of a SnO 2 nanobelt for gas sensor applications in 2002, which is one such example from which many researchers began to explore the field of 1D-nanostructure-based chemical/gas sensors. The Sensor Laboratory (University of Brescia) has made major contributions to the field of metal oxide nanowire chemical/gas-sensing devices. Over the years, different metal oxides such as SnO 2 , ZnO, WO 3 , NiO, CuO, and their heterostructures have been grown for their nanowire morphology and successfully integrated into chemoresistive gas-sensing devices. Hence in this invited feature article, Sensor Laboratory research on the synthesis of metal oxide nanowires and novel heterostructures and their characterization and gas-sensing performance during exposure to different gas analytes has been presented. Moreover, some new strategies such as branched-like nanowire heterostructures and core–shell nanowire structures adopted to enhance the performance of nanowire-based chemical sensor are presented in detail.

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Chemical sensors

Cited by 24 publications

References 15 publications

Sensing and sensitivity: Computational chemistry of graphene‐based sensors

Sensing and sensitivity: Computational chemistry of graphene‐based sensors

Essay for the Rosarium Philosophicum on Electrochemistry Electrochemical Analysis – What it was, is, and Possibly will be

One-Dimensional Nanostructured Oxide Chemoresistive Sensors

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