Theoretical evaluation of Al-doped biphenylene nanosheet sensing properties toward gamma-butyrolactone

Asadi, Lida; Saadati, Zohreh; Salehpour, Mahboobeh

doi:10.1007/s11224-022-01964-6

Cited by 4 publications

(3 citation statements)

References 34 publications

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“…Estudos computacionais recentes sobre as propriedades de transporte usando a Teoria dos Funcionais da Densidade Eletrónica (DFT) sugerem que a mobilidade eletrónica de uma nanofita de bifenileno é superior à de uma nanofita de grafeno. Com base nestes resultados pensa-se que este alótropo poderá ser um bom candidato para aplicações em dispositivos lógicos ultrapequenos nos campos da optoeletrónica, nanoeletrónica e fotocatálise 16 .…”

Section: Bifenilenounclassified

Alótropos do carbono

Terra,

Magalhães

2023

Rev. Ciência Elem.

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O carbono é o quarto elemento químico mais abundante no Universo, ultrapassado somente pelos elementos hidrogénio, hélio e oxigénio, sendo formado no interior de grandes estrelas como resultado de reações de fusão nuclear a partir do elemento mais leve hélio 1 . Na crosta terrestre é somente o décimo sétimo elemento químico mais abundante, surgindo fundamentalmente na forma de vários tipos de carbonatos, matéria orgânica e dióxido de carbono na atmosfera 2 . No entanto, é um dos elementos mais versáteis que encontramos na natureza, fornecendo a base para a vida no nosso planeta.O carbono está presente em compostos orgânicos naturais, como por exemplo proteínas, ácido desoxirribonucleico-DNA, minerais e ainda em combustíveis fósseis, ou em compostos quimicamente manipulados, como por exemplo alguns fármacos, plásticos e polímeros sintéticos (FIGURA 1). FIGURA 1. Alguns exemplos de alótropos de carbono. As estruturas representadas em todas as figuras foram obtidas com o software de visualização GaussView 5.0 19 .A variedade de compostos quase ilimitada resulta da capacidade do carbono para estabelecer múltiplas ligações covalentes consigo mesmo e com muitos elementos da tabela periódica. Esta versatilidade de ligação do carbono manifesta-se na variabilidade de estruturas moleculares e na ampla gama de propriedades químicas e físicas das diversas substâncias. Hoje em dia, através das ferramentas da química sintética moderna, é possível personalizar o design das propriedades e funcionalidades de modo a obter substâncias com um objetivo específico bem identificado.

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Section: Bifenilenounclassified

Alótropos do carbono

Terra,

Magalhães

2023

Rev. Ciência Elem.

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“…The experimental realization of BPN layers has sparked significant interests in exploring their electronic, phononic, mechanical, chemical, and thermal properties. 3–38 Recent studies 3,4 have revealed that the 2D BPN lattice exhibits intriguing electronic band structures such as type-II Dirac cones, 39 nearly flat bands, and saddle-point van Hove singularities (vHS). These characteristics are closely related to topological and correlation physics.…”

Section: Introductionmentioning

confidence: 99%

Magnetic transitions of biphenylene network layers induced by external perturbations

Kim

2024

J. Mater. Chem. C

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“…Recently, another type of two-dimensional carbon allotrope, called the biphenylene network (BPN), was synthesized and has attracted significant interests in various properties of BPN layers including electronic, optical, mechanical, thermal, magnetic, and chemical properties. − Moreover, from the first-principles analysis, BPN turned out to exhibit another intriguing band dispersion called type-II Dirac fermion consisting of two heavily inclined cones, so that we have open Fermi surfaces instead of Fermi points or circles. , In type-II Dirac semimetals, one can have electron- and hole-type carriers simultaneously in contrast to the type-I case such as graphene. This intricate band shape may lead to a variety of unusual electronic phenomena such as anisotropic transport and magnetoresistance behavior − and undamped gapless plasmon modes .…”

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confidence: 99%

Engineering Two-Dimensional Nodal Semimetals in Functionalized Biphenylene by Fluorine Adatoms

Mo,

Seo,

Son

et al. 2024

Nano Lett.

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We propose a band engineering scheme on the biphenylene network, a newly synthesized carbon allotrope. We illustrate that the electronic structure of the biphenylene network can be significantly altered by controlling conditions affecting the symmetry and destructive interference of wave functions through periodic fluorination. First, we investigate the mechanism for the appearance of a type-II Dirac fermion in a pristine biphenylene network. We show that the essential ingredients are mirror symmetries and stabilization of the compact localized eigenstates via destructive interference. While the former is used for the bandcrossing point along high symmetry lines, the latter induces highly inclined Dirac dispersions. Subsequently, we demonstrate the transformation of the biphenylene network's type-II Dirac semimetal phase into various Dirac phases such as type-I Dirac, gapped type-II Dirac, and nodal line semimetals through the deliberate disruption of mirror symmetry or modulation of destructive interference by varying the concentration of fluorine atoms.

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Theoretical evaluation of Al-doped biphenylene nanosheet sensing properties toward gamma-butyrolactone

Cited by 4 publications

References 34 publications

Alótropos do carbono

Alótropos do carbono

Magnetic transitions of biphenylene network layers induced by external perturbations

Engineering Two-Dimensional Nodal Semimetals in Functionalized Biphenylene by Fluorine Adatoms

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