Highly improved carbon dioxide sensitivity and selectivity of black phosphorene sensor by vacancy doping: A <scp>quantum chemical</scp> perspective

Ghashghaee, Mohammad; Ghambarian, Mehdi

doi:10.1002/qua.26265

Cited by 37 publications

(10 citation statements)

References 85 publications

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“…The symbol µ M refers to the chemical potential of the M dopant. The energetics of the nitrogen dioxide molecule on various phosphorene-based structures was determined as follows: 21 , 39 – 41 in which the subscript op refers to the adsorption configuration (the operating device), and gas denotes the nitrogen dioxide molecule.…”

Section: Resultsmentioning

confidence: 99%

Alkali metal doping of black phosphorus monolayer for ultrasensitive capture and detection of nitrogen dioxide

Marjani

Ghambarian

Ghashghaee

2021

Sci Rep

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Black phosphorus nanostructures have recently sparked substantial research interest for the rational development of novel chemosensors and nanodevices. For the first time, the influence of alkali metal doping of black phosphorus monolayer (BP) on its capabilities for nitrogen dioxide (NO2) capture and monitoring is discussed. Four different nanostructures including BP, Li-BP, Na-BP, and K-BP were evaluated; it was found that the adsorption configuration on Li-BP was different from others such that the NO2 molecule preferred a vertical stabilization rather than a parallel configuration with respect to the surface. The efficiency for the detection increased in the sequence of Na-BP < BP < K-BP < Li-BP, with the most significant improvement of + 95.2% in the case of Li doping. The Na-BP demonstrated the most compelling capacity (54 times higher than BP) for NO2 capture and catalysis (− 24.36 kcal/mol at HSE06/TZVP). Furthermore, the K-doped device was appropriate for both nitrogen dioxide adsorption and sensing while also providing the highest work function sensitivity (55.4%), which was much higher than that of BP (10.4%).

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Section: Resultsmentioning

confidence: 99%

Alkali metal doping of black phosphorus monolayer for ultrasensitive capture and detection of nitrogen dioxide

Marjani

Ghambarian

Ghashghaee

2021

Sci Rep

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“…further demonstrated the importance of surface modification, especially of defect engineering, in altering the electrical properties of single‐layered black phosphorus and thus improving the selectivity toward CO 2 . [ 128 ] In this case, the defect‐containing material showed a higher work function sensitivity to CO 2 than the non‐vacancy‐doped material.…”

Section: A Succinct Dictation Of Novel Materials In Ghg Sensingmentioning

confidence: 94%

Significance of Various Sensing Mechanisms for Detecting Local and Atmospheric Greenhouse Gases: A Review

Bassous,

Rodriguez,

Leal

et al. 2023

Advanced Sensor Research

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Elucidating the capital mechanism for detecting greenhouse gases (GHGs) in the atmosphere, based on sensitivity, performance, and cost‐effectiveness, is challenging, but markedly needed in the presence of global climate change caused by GHG emissions and subsequent feedback. Often measured in units of Global Warming Potential (GWP), the GHGs are linked to climate change, especially due to their intrinsic tendencies to absorb heat energy. Hence, measures for reducing GHG emissions are implemented within the context of improving energy consumption; substituting high‐GHG output fuels for more neutral alternatives; trapping and sequestering carbon; and reconditioning agricultural processes. The extent to which these curtailment methods succeed hinges on GHG detection and quantification mechanisms. However, the universal determination of GHGs is constrained by the availability of sensors; this work, therefore, highlights sensor advantages/disadvantages and potential enrichment strategies. Herein, experimental developments in GHG sensing technologies (i.e., chemiresistive, electrochemical, infrared, optical, acoustic, calorimetric, and gas chromatographic sensors) are evaluated, in terms of approaching desirable features, such as sensitivity, selectivity, stability, accuracy, and low cost. This work underscores ongoing global research to produce universal, cost‐effective methods that, with high sensitivity, proffer accurate GHG readings to allay global warming, through comparisons of recent, up‐and‐coming sensor technologies.

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“…This paper was published in the International Journal of Quantum Chemistry by Mohammad Ghashghaee and Mehdi Ghambarian in 2020. This paper reported the DFT-based investigation of the adsorption and sensing properties of a carbon dioxide molecule on the pristine (BP) and vacancy-doped (DP) black phosphorus mono layers (Ghashghaee and Ghambarian, 2020). Ghambarian et al (2020) published "Remarkable improvement in phosgene detection with a defect-engineered phosphorene sensor: firstprinciples calculations" in the journal Physical Chemistry Chemical Physics is the third top paper in Cluster 2.…”

Section: Cluster 1: Development Of a Single Quantum Dot-based Nanosen...mentioning

confidence: 99%

Trends, progress and future directions of nanomaterial based sensors: a bibliometric overview

Babu Thomas,

P. Kumar,

James

et al. 2024

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Purpose Nanosensors have a wide range of applications because of their high sensitivity, selectivity and specificity. In the past decade, extensive and pervasive research related to nanosensors has led to significant progress in diverse fields, such as biomedicine, environmental monitoring and industrial process control. This led to better and more efficient detection and monitoring of physical and chemical properties at better resolution, opening new horizons in the development of novel technologies and applications for improved human health, environment protection, enhanced industrial processes, etc. Design/methodology/approach In this paper, the authors discuss the application of citation network analysis in the field of nanosensor research and development. Cluster analysis was carried out using papers published in the field of nanomaterial-based sensor research, and an in-depth analysis was carried out to identify significant clusters. The purpose of this study is to provide researchers to identify a pathway to the emerging areas in the field of nanosensor research. The authors have illustrated the knowledge base, knowledge domain and knowledge progression of nanosensor research using the citation analysis based on 3,636 Science Citation Index papers published during the period 2011 to 2021. Findings Among these papers, the bibliographic study identified 809 significant research publications, 11 clusters, 556 research sector keywords, 1,296 main authors, 139 referenced authors, 63 nations, 206 organizations and 42 journals. The authors have identified single quantum dot (QD)-based nanosensor for biological applications, carbon dot-based nanosensors, self-powered triboelectric nanogenerator-based nanosensor and genetically encoded nanosensor as the significant research hotspots that came to the fore in recent years. The future trend in nanosensor research might focus on the development of efficient and cost-effective designs for the detection of numerous environmental pollutants and biological molecules using mesostructured materials and QDs. It is also possible to optimize the detection methods using theoretical models, and generalized gradient approximation has great scope in sensor development. Research limitations/implications The future trend in nanosensor research might focus on the development of efficient and cost-effective designs for the detection of numerous environmental pollutants and biological molecules using mesostructured materials and QDs. It is also possible to optimize the detection methods using theoretical models, and generalized gradient approximation has great scope in sensor development. Originality/value This is a novel bibliometric analysis in the area of “nanomaterial based sensor,” which is carried out in CiteSpace software.

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Highly improved carbon dioxide sensitivity and selectivity of black phosphorene sensor by vacancy doping: A quantum chemical perspective

Cited by 37 publications

References 85 publications

Alkali metal doping of black phosphorus monolayer for ultrasensitive capture and detection of nitrogen dioxide

Alkali metal doping of black phosphorus monolayer for ultrasensitive capture and detection of nitrogen dioxide

Significance of Various Sensing Mechanisms for Detecting Local and Atmospheric Greenhouse Gases: A Review

Trends, progress and future directions of nanomaterial based sensors: a bibliometric overview

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