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Current State of Computational Modeling of Nanohelicenes. / Порсев, Виталий Вениаминович; Эварестов, Роберт Александрович.

в: Nanomaterials, Том 13, № 16, 2295, 09.08.2023.

Результаты исследований: Научные публикации в периодических изданиях › Обзорная статья › Рецензирование

Harvard

Порсев, ВВ & Эварестов, РА 2023, 'Current State of Computational Modeling of Nanohelicenes', Nanomaterials, Том. 13, № 16, 2295. https://doi.org/10.3390/nano13162295, https://doi.org/10.3390/nano13162295

APA

Порсев, В. В., & Эварестов, Р. А. (2023). Current State of Computational Modeling of Nanohelicenes. Nanomaterials, 13(16), [2295]. https://doi.org/10.3390/nano13162295, https://doi.org/10.3390/nano13162295

Vancouver

Порсев ВВ, Эварестов РА. Current State of Computational Modeling of Nanohelicenes. Nanomaterials. 2023 Авг. 9;13(16). 2295. https://doi.org/10.3390/nano13162295, https://doi.org/10.3390/nano13162295

Author

Порсев, Виталий Вениаминович ; Эварестов, Роберт Александрович. / Current State of Computational Modeling of Nanohelicenes. в: Nanomaterials. 2023 ; Том 13, № 16.

BibTeX

@article{b940c4aeca12420682dc17f8a3311dba,
title = "Current State of Computational Modeling of Nanohelicenes",
abstract = "This review considers the works that focus on various aspects of the theoretical description of nanohelicenes (other equivalent names are graphene spirals, graphene helicoid, helical graphene nanoribbon, or helical graphene)-a promising class of one-dimensional nanostructures. The intrinsic helical topology and continuous π-system lead to the manifestation of unique optical, electronic, and magnetic properties that are also highly dependent on axial and torsion strains. In this paper, it was shown that the properties of nanohelicenes are mainly associated with the peripheral modification of the nanohelicene ribbon. We have proposed a nomenclature that enables the classification of all nanohelicenes as modifications of some prototype classes.",
keywords = "DFT, DFTB, graphene helicoid, graphene spiral, helical graphene, helical graphene nanoribbon, helical periodicity, helicene, line symmetry groups, molecular dynamics, nanohelicene",
author = "Порсев, {Виталий Вениаминович} and Эварестов, {Роберт Александрович}",
year = "2023",
month = aug,
day = "9",
doi = "10.3390/nano13162295",
language = "English",
volume = "13",
journal = "Nanomaterials",
issn = "2079-4991",
publisher = "MDPI AG",
number = "16",

}

RIS

TY - JOUR

T1 - Current State of Computational Modeling of Nanohelicenes

AU - Порсев, Виталий Вениаминович

AU - Эварестов, Роберт Александрович

PY - 2023/8/9

Y1 - 2023/8/9

N2 - This review considers the works that focus on various aspects of the theoretical description of nanohelicenes (other equivalent names are graphene spirals, graphene helicoid, helical graphene nanoribbon, or helical graphene)-a promising class of one-dimensional nanostructures. The intrinsic helical topology and continuous π-system lead to the manifestation of unique optical, electronic, and magnetic properties that are also highly dependent on axial and torsion strains. In this paper, it was shown that the properties of nanohelicenes are mainly associated with the peripheral modification of the nanohelicene ribbon. We have proposed a nomenclature that enables the classification of all nanohelicenes as modifications of some prototype classes.

AB - This review considers the works that focus on various aspects of the theoretical description of nanohelicenes (other equivalent names are graphene spirals, graphene helicoid, helical graphene nanoribbon, or helical graphene)-a promising class of one-dimensional nanostructures. The intrinsic helical topology and continuous π-system lead to the manifestation of unique optical, electronic, and magnetic properties that are also highly dependent on axial and torsion strains. In this paper, it was shown that the properties of nanohelicenes are mainly associated with the peripheral modification of the nanohelicene ribbon. We have proposed a nomenclature that enables the classification of all nanohelicenes as modifications of some prototype classes.

KW - DFT

KW - DFTB

KW - graphene helicoid

KW - graphene spiral

KW - helical graphene

KW - helical graphene nanoribbon

KW - helical periodicity

KW - helicene

KW - line symmetry groups

KW - molecular dynamics

KW - nanohelicene

UR - https://www.mendeley.com/catalogue/333b2e05-3f77-3a0b-b18f-eb14452c1273/

U2 - 10.3390/nano13162295

DO - 10.3390/nano13162295

M3 - Review article

C2 - 37630880

VL - 13

JO - Nanomaterials

JF - Nanomaterials

SN - 2079-4991

IS - 16

M1 - 2295

ER -

ID: 107719531