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Realization of Switching Mechanism of CO2 by Alkaline Adatoms on g-B4N3 Surface

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Advances in Spectroscopy: Molecules to Materials

Part of the book series: Springer Proceedings in Physics ((SPPHY,volume 236))

Abstract

The switching mechanism of carbon dioxide (CO2) molecule by alkaline earth metal (AEM) (Mg+2, Ca+2, Sr+2, and Ba+2) functionalized on graphitic boron nitride (g-B4N3) nanosheet has been analyzed by using density functional theory (DFT) approach which includes long-range correlation (DFT+D2). This method has been implemented in such a way to understand the switchable or capture/release mechanism of the CO2 molecule. The positive valance alkaline earth adatoms on the nanosheet of g-B4N3 have been provided external energy to do the capture/release process of greenhouse gas CO2. Due to the weak adsorption of CO2, it makes possible to discharge from the g-B4N3 nanosheet and shows instantaneous switching mechanism. Briefly, the negatively charged g-B4N3 nanosheets are highly sensitive for CO2.

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Author information

Authors and Affiliations

  1. Advanced Materials Lab, Department of Applied Physics, S.V. National Institute of Technology, Surat, 395007, India

    Shivam Kansara & Yogesh Sonvane

  2. Computational Materials and Nanoscience Group, Department of Physics, St. Xavier’s College, Ahmedabad, 380009, India

    Sanjeev K. Gupta

  3. CNT Lab, Advanced Materials Research Group, ABV-Indian Institute of Information Technology and Management, Gwalior, 474010, India

    Anurag Srivastava

Authors
  1. Shivam Kansara
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  2. Sanjeev K. Gupta
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  3. Yogesh Sonvane
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  4. Anurag Srivastava
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Corresponding author

Correspondence to Yogesh Sonvane .

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Editors and Affiliations

  1. Department of Physics, Institute of Infrastructure Technology Research And Management, Ahmedabad, Gujarat, India

    Dheeraj Kumar Singh

  2. Department of Chemistry, Institute of Infrastructure Technology Research And Management, Ahmedabad, Gujarat, India

    Sourav Das

  3. Department of Physics and Earth Science, Jacobs University Bremen gGmbH, Bremen, Germany

    Arnulf Materny

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Kansara, S., Gupta, S.K., Sonvane, Y., Srivastava, A. (2019). Realization of Switching Mechanism of CO2 by Alkaline Adatoms on g-B4N3 Surface. In: Singh, D., Das, S., Materny, A. (eds) Advances in Spectroscopy: Molecules to Materials. Springer Proceedings in Physics, vol 236. Springer, Singapore. https://doi.org/10.1007/978-981-15-0202-6_34

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  • DOI: https://doi.org/10.1007/978-981-15-0202-6_34

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