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Theoretical and Computational Investigations of Carbon Nanostructures

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Carbon Nanomaterial Electronics: Devices and Applications

Part of the book series: Advances in Sustainability Science and Technology ((ASST))

Abstract

Carbon is one of the most versatile elements in the periodic table and is known to occur in various allotropic forms. It has been widely explored since the eighteenth century and its investigation in various forms has witnessed continuous growth thereafter. The effect of these advancements has guided numerous discoveries which have not only addressed several aspects of materials physics, but also their applications. The development of theoretical and computational tools accompanied by novel characterization techniques along with the ability to synthesize these reduced dimensionalities of the carbon family like fullerene, carbon nanotubes, graphene, carbon quantum dots, etc. has significantly improved the understanding of these nanostructures. The ability of computational and theoretical techniques to predict and provide insights into the structure and properties of systems plays a crucial part in substantiating experimental findings. Theoretical and computational modeling of various carbon nanostructures such as fullerene, carbon nanotubes, graphene, and carbon quantum dots will be critically reviewed. The chapter begins with the description of the historical timeline of carbon nanostructures. How the models developed over time have led to the development of carbon nanoforms is reviewed. The impact of theoretical and computational approaches in understanding the physics of these carbon nanostructures is also highlighted.

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Authors and Affiliations

  1. Department of Metallurgical Engineering and Materials Science, Indian Institute of Technology Bombay, Mumbai, 400076, Maharashtra, India

    Basant Roondhe & Sumit Saxena

  2. Department of Physics, Faculty of Science, The Maharaja Sayajirao University of Baroda, Vadodara, 390002, India

    Vaishali Sharma

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  1. Basant Roondhe
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  2. Vaishali Sharma
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Correspondence to Sumit Saxena .

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  1. Department of Electrical and Electronics Engineering, Birla Institute of Technology and Science, Pilani, Rajasthan, India

    Arnab Hazra

  2. Department of Electronics and Communication Engineering, School of Engineering, Tezpur University, Napaam, Assam, India

    Rupam Goswami

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Roondhe, B., Sharma, V., Saxena, S. (2021). Theoretical and Computational Investigations of Carbon Nanostructures. In: Hazra, A., Goswami, R. (eds) Carbon Nanomaterial Electronics: Devices and Applications. Advances in Sustainability Science and Technology. Springer, Singapore. https://doi.org/10.1007/978-981-16-1052-3_7

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