Nano-Structured Carbon: Its Synthesis from Renewable Agricultural Sources and Important Applications

Jirimali, Harishchandra D.; Singh, Jyoti; Boddula, Rajamouli; Lee, Jung-Kul; Singh, Vijay

doi:10.3390/ma15113969

Cited by 21 publications

(9 citation statements)

References 133 publications

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“…Carbon atoms can present three different forms of hybridization ( sp , , and ), and the way in which they can combine with other elements is the basis of countless research studies [ 1 , 2 ]. The combination of this element on a nanometric scale gave rise to structures called nanocarbons [ 3 ]. They are characterized by showing different geometric and dimensional configurations, such as fullerenes, carbon nanotubes, graphene nanoribbons, graphene oxides, and nanodiamonds [ 1 , 4 ].…”

Section: Introductionmentioning

confidence: 99%

Electronic and structural properties of Möbius boron-nitride and carbon nanobelts

Aguiar,

Dattani,

Camps

2024

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For the development of nanofilters and nanosensors, we wish to know the impact of size on their geometric, electronic, and thermal stabilities. Using the semiempirical tight binding method as implemented in the xTB program, we characterized Möbius boron-nitride and carbon-based nanobelts with different sizes and compared them to each other and to normal nanobelts. The calculated properties include the infrared spectra, the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO), the energy gap, the chemical potential, and the molecular hardness. The agreement between the peak positions from theoretical infrared spectra compared with experimental ones for all systems validates the methodology that we used. Our findings show that for the boron-nitride-based nanobelts, the calculated properties have an opposite monotonic relationship with the size of the systems, whereas for the carbon-based nanobelts, the properties show the same monotonic relationship for both types of nanobelts. Also, the torsion presented on the Möbius nanobelts, in the case of boron-nitride, induced an inhomogeneous surface distribution for the HOMO orbitals. High-temperature molecular dynamics also allowed us to contrast carbon-based systems with boron-nitride systems at various temperatures. In all cases, the properties vary with the increase in size of the nanobelts, indicating that it is possible to choose the desired values by changing the size and type of the systems. This work has many implications for future studies, for example our results show that carbon-based nanobelts did not break as we increased the temperature, whereas boron-nitride nanobelts had a rupture temperature that varied with their size; this is a meaningful result that can be tested when the use of more accurate simulation methods become practical for such systems in the future.

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Section: Introductionmentioning

confidence: 99%

Electronic and structural properties of Möbius boron-nitride and carbon nanobelts

Aguiar,

Dattani,

Camps

2024

Discover Nano

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“…The study presented in this article develops the ideas of the concept of sustainable environmentally friendly concrete, which implies the partial and complete replacement of the mineral components of concrete with natural and rapidly renewable analogues. Replacing large-mineral aggregate with walnut shells will partially eliminate complex mechanized and energy-intensive production processes associated with high greenhouse-gas emissions [ 36 , 37 , 38 , 39 , 40 , 41 , 42 ]. At the same time, it is important to find a balance between the strength and density of the resulting composite, so that a decrease in the SC of the material is accompanied by a commensurate decrease in the density of the material.…”

Section: Introductionmentioning

confidence: 99%

Effect of Walnut-Shell Additive on the Structure and Characteristics of Concrete

et al. 2023

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The partial replacement of the mineral components of concrete with natural renewable analogues in full possession of the performance characteristics of the final material, allows not only the concrete-production process to be made more environmentally friendly and inexpensive, but also to solve an important task for the agricultural industry, which is that associated with waste disposal. The scientific novelty of the work is in the obtaining of new concrete compositions by the partial replacement of coarse aggregate with a natural analogue in the form of a walnut shell, which has the maximum ratio of the strength of the composite to its density, as well as in identifying new dependencies of strength and density and their ratio on the amount of replacement of mineral coarse-aggregate walnut shell. The main goal of this article was to analyze the effect of composition factors on characteristics of concrete with partial replacement of large aggregates with walnut shells and to search for the optimal compound that would make it possible to obtain concrete with a minimum decrease in strength characteristics with a maximum decrease in concrete density. Cubes and prism laboratory samples were made from concrete of normal density with the replacement of coarse aggregate by 5, 10, 15, 20, 25 and 30%, by volume. The main mechanical properties, such as density, strength (compressive, tensile, tensile strength in bending) of the concrete samples were studied. The investigation used standard methods and scanning electron microscopy. An increase into strength characteristics up to 3.5%, as well as the maximum ratio of strength to density of concrete, was observed at a walnut-shell dosage of 5%. Effective partial replacement of coarse aggregate with walnut shells leads to a reduction in the consumption of crushed stone by up to 10% and a decrease in the mass of concrete by up to 6%.

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“…The combination of this element on a nanometric scale gave rise to structures called nanocarbons [3]. They are characterized by showing different geometric and dimensional configurations, such as fullerenes, carbon nanotubes, graphene nanoribbons, graphene oxides and nanodiamonds [1; 4].…”

Section: Introductionmentioning

confidence: 99%

Electronic and structural properties of Möbius boron-nitride and carbon nanobelts

C.¹,

N.²,

Camps³

2023

Preprint

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Using the semiempirical tight binding method as implemented in the xTB program, we characterized Möbius boron-nitride and carbon-based nanobelts with different sizes and compared them with normal nanobelts. The calculated properties include the infrared spectra, the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO), the energy gap, the chemical potential, and the molecular hardness.The agreement between the peaks positions from theoretical infrared spectra compared with experimental ones for all systems, validate the used methodology. Our findings show that for the boron-nitride based nanobelts, the calculated properties have opposite monotonic relationship with the size of the systems whereas, for the carbon-based, the properties show the same monotonic relationship for both types of nanobelts. Also, the torsion presented on the Möbius nanobelts, in the case of boron-nitride, induced an inhomogeneous surface distribution for the HOMO orbitals. In all cases, the properties vary with the increase in the size of the nanobelts indicating that it is possible to choose the desired values by changing the size and type of the systems.

show abstract

Nano-Structured Carbon: Its Synthesis from Renewable Agricultural Sources and Important Applications

Cited by 21 publications

References 133 publications

Electronic and structural properties of Möbius boron-nitride and carbon nanobelts

Electronic and structural properties of Möbius boron-nitride and carbon nanobelts

Effect of Walnut-Shell Additive on the Structure and Characteristics of Concrete

Electronic and structural properties of Möbius boron-nitride and carbon nanobelts

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