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Eu-doped SnO2 nanosystems from first principles: investigation of structural and electronic properties at different doping positions

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Abstract

A density-functional theory employing generalized gradient approximation was used to study the Eu-doped SnO2. The work here deals with the investigation of the structural and electronic band arrangements in SnO2 with Eu doped at various sites. Through the formation energy calculation, it is observed that the introduction of Eu favors substitution with Sn affecting the crystallite size without manifesting any interstitial defect formations. Eu is found to contribute more prominently near the Fermi level of SnO2 in comparison to oxygen. The higher value of energy state’s peak for Eu doped at the top surface indicates that the contribution of Eu as dopant decreases with the increase in the coordination number.

Graphical abstract

Merging two differently oriented planes (110 and 101) through merge technique.

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Data availability statement

This manuscript has no associated data or the data will not be deposited. [Authors’ comment: The datasets generated during the current study are available from the corresponding author on reasonable request.].

References

  1. R.S. Yadav, Multifunctional nanomaterials: synthesis, properties and applications. Int. J. Mol. Sci. 22(21), 12073 (2021)

    Article  Google Scholar 

  2. N.M. Mubarak et al., Contemporary Nanomaterials in Material Engineering Applications (Springer International Publishing, Berlin, 2021)

    Book  Google Scholar 

  3. N. Baig, I. Kammakakam, W. Falath, Nanomaterials: a review of synthesis methods, properties, recent progress, and challenges. Mater. Adv. 2(6), 1821–1871 (2021)

    Article  Google Scholar 

  4. H. Zhang et al., Mini-review on the application of nanomaterials in improving anti-aging properties of asphalt. Energy Fuels 35(14), 11017–11036 (2021)

    Article  Google Scholar 

  5. S. Lany, Semiconducting transition metal oxides. J. Phys. Condensed Matter 27(28), 283203 (2015)

    Article  Google Scholar 

  6. H. Yoo et al., A review of phototransistors using metal oxide semiconductors: research progress and future directions. Adv. Mater. 2006091 (2021)

  7. Y. Lv et al., Recent advances in metals and metal oxides as catalysts for vanadium redox flow battery: properties, structures, and perspectives. J. Mater. Sci. Technol. 75, 96–109 (2021)

    Article  Google Scholar 

  8. Y. Ma et al., Recent advances in transition metal oxides with different dimensions as electrodes for high-performance supercapacitors. Adv. Compos. Hybrid Mater. 4(4), 906–924 (2021)

    Article  Google Scholar 

  9. A. Chizhov, M. Rumyantseva, A. Gaskov, Light activation of nanocrystalline metal oxides for gas sensing: principles, achievements, challenges. Nanomaterials 11(4), 892 (2021)

    Article  Google Scholar 

  10. C. Jin et al., Skin‐like elastomer embedded zinc oxide nanoarrays for biomechanical energy harvesting. Adv. Mater. Interfaces 2100094 (2021)

  11. S. Zhao et al., SnO2 as advanced anode of alkali-ion batteries: inhibiting Sn coarsening by crafting robust physical barriers, void boundaries, and heterophase interfaces for superior electrochemical reaction reversibility. Adv. Energy Mater. 10(6), 1902657 (2020)

    Article  Google Scholar 

  12. Y. Xu et al., SnO2 quantum dots enabled site-directed sodium deposition for stable sodium metal batteries. Nano Lett. 21(1), 816–822 (2020)

    Article  ADS  Google Scholar 

  13. J. Geng et al., Facile and fast synthesis of SnO2 quantum dots for high performance solid-state asymmetric supercapacitor. J. Alloys Compd. 825, 153850 (2020)

    Article  Google Scholar 

  14. S. Ramesh et al., Porous materials of nitrogen doped graphene oxide@ SnO2 electrode for capable supercapacitor application. Sci. Rep. 9(1), 1–10 (2019)

    Article  Google Scholar 

  15. M. Siddique et al., Biosynthesis of highly porous Ag/Bi/SnO2 nanohybrid material using seeds extract of Caesalpinia bonduc and their photocatalytic activity. Physica B Condens. Matter 644, 414209 (2022)

    Article  Google Scholar 

  16. R. Renuga et al., Enhanced magneto-optical, morphological, and photocatalytic properties of nickel-substituted SnO2 nanoparticles. J. Supercond. Novel Magn. 34(3), 825–836 (2021)

    Article  Google Scholar 

  17. D.W. Kim, S.M. Jung, H.Y. Jung, Long term thermostable supercapacitor using in-situ SnO2 doped porous graphene aerogel. J. Power Sources 448, 227422 (2020)

    Article  Google Scholar 

  18. Qi. Jiang, X. Zhang, J. You, SnO2: a wonderful electron transport layer for perovskite solar cells. Small 14(31), 1801154 (2018)

    Article  Google Scholar 

  19. F. Jamil et al., Heterogeneous carbon-based catalyst modified by alkaline earth metal oxides for biodiesel production: parametric and kinetic study. Energy Convers. Manag. X 10, 100047 (2021)

    Google Scholar 

  20. E. Gomathi, M. Jayapriya, M. Arulmozhi, Environmental benign synthesis of tin oxide (SnO2) nanoparticles using Actinidia deliciosa (Kiwi) peel extract with enhanced catalytic properties. Inorg. Chem. Commun. 130, 108670 (2021)

    Article  Google Scholar 

  21. P. Ramesh et al., Effect of heavy metal oxides on photoluminescence and spectroscopic attributes of Eu3+ activated borate glasses. Opt. Mater. 114, 110933 (2021)

    Article  Google Scholar 

  22. S. Rezaee et al., Effect of annealing on the micromorphology and corrosion properties of Ti/SS thin films. Superlattices Microstruct. 146, 106681 (2020)

    Article  Google Scholar 

  23. D.P. Rai et al., Spin-induced transition metal (TM) doped SnO2 a dilute magnetic semiconductor (DMS): a first principles study. J. Phys. Chem. Solids 120, 104–108 (2018)

    Article  ADS  Google Scholar 

  24. C. Xu et al., Morphology control of SnO2 layer by solvent engineering for efficient perovskite solar cells. Sol. Energy 214, 280–287 (2021)

    Article  ADS  Google Scholar 

  25. P. Mao et al., Morphology-controlled synthesis and lithium storage properties of SnO2@ C@ MoS2 hollow nanospheres with petaloid and granular MoS2 nanosheets as the external layer in different solvents. J. Alloys Compd. 850, 156745 (2021)

    Article  Google Scholar 

  26. D. Rehani et al., Transition metal and rare-earth metal doping in SnO2 nanoparticles. J. Superconduct. Novel Magnet. 35(9): 2573–2581 (2022)

    Article  Google Scholar 

  27. T.T. Bhosale et al., Photocatalytic degradation of methyl orange by Eu doped SnO2 nanoparticles. J. Mater. Sci.: Mater. Electron. 30(20), 18927–18935 (2019)

    Google Scholar 

  28. N. Shukla, P. Chetri, G.A. Ahmed, Structural, optical and magnetic study of Eu2+ doped SnO2 nanosystems: an experimental and DFT based investigation. J. Mater. Sci. 56(34), 18911–18925 (2021)

    Article  ADS  Google Scholar 

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Authors and Affiliations

  1. Department of Physics, Tezpur University, Tezpur, 784028, India

    Nishant Shukla & Gazi A. Ahmed

  2. Department of Physics, Debraj Roy College, Golaghat, 785621, India

    Pawan Chetri

Authors
  1. Nishant Shukla
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  2. Pawan Chetri
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  3. Gazi A. Ahmed
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Contributions

NS and PC conceptualized the whole idea, whereas GAA helped in writing the manuscript.

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Correspondence to Pawan Chetri.

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The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.

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Shukla, N., Chetri, P. & Ahmed, G.A. Eu-doped SnO2 nanosystems from first principles: investigation of structural and electronic properties at different doping positions. Eur. Phys. J. B 95, 199 (2022). https://doi.org/10.1140/epjb/s10051-022-00465-z

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  • DOI: https://doi.org/10.1140/epjb/s10051-022-00465-z

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