Electronic transport in zigzag PhaGraphene NanoRibbon doped with boron and nitrogen

Nisioka, K.R.; Santos, João; Nero, Jordan Del; Silva, C.A.B. da

doi:10.1016/j.apsusc.2019.144410

Cited by 12 publications

(3 citation statements)

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“…[11][12][13] Recently, there has been a remarkable upsurge of interest in carbon-based nanostructures owing to their exceptional attributes, including high sensitivity, substantial specific surface area, and rapid response times, akin to semiconductor characteristics. [14][15][16] These remarkable qualities render them highly suitable for the fabrication of nanoscale devices, thus fueling the growing interest in this field. However, their potential use in gas sensing is hindered by the weak adsorption capacity of raw graphene towards gas molecules owing to its non-metallic nature.…”

Section: Introductionmentioning

confidence: 99%

Adsorption of C₂H₂ on heteroatom-decorated graphene

Cai,

Zhang,

Gai

et al. 2024

New J. Chem.

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Section: Introductionmentioning

confidence: 99%

Adsorption of C₂H₂ on heteroatom-decorated graphene

Cai,

Zhang,

Gai

et al. 2024

New J. Chem.

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“…Being realized experimentally, the importance of the structure has grown considerably over the years [44]. Exotic mechanical [45][46][47][48], transport [49][50][51][52] and thermoelectric [53] properties are reported for phagraphene structure. Significant modifications of the electronic properties are observed after adatoms doping and edge modifications.…”

Section: Introductionmentioning

confidence: 99%

Nonlinear optical response and characteristic Raman spectra of phagraphene quantum dots

Ghosh

Nath²,

Sen

et al. 2023

Phys. Scr.

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In the field of optoelectronics, quantum dots (QDs) have gained interest due to easy modifications of electronics properties. Subsequently, the importance of nonlinear optical (NLO) properties is increasing day by day. In this work, we have systematically analyzed the NLO properties of phagraphene QDs with different shapes and sizes, employing density functional theory (DFT). Negative value of cohesive energy and absence of imaginary modes in the Raman spectra confirm the energetical stability of the QDs. Successful experimental realization of phagraphene nanoribbon have triggered the possibility of experimental feasibility of the QDs. Additionally, most of the QDs showcase high absorption in the UV region. Particularly, the variation of electronic bandgap and the number of delocalized $\pi$ electrons in the structure control the NLO responses of materials. Surprisingly, electronic bandgap as well as the number of $\pi$ electrons in the system can be easily tuned by varying the shapes and sizes of the phagraphene QDs. Both static and dynamical variations of polarizability $<\alpha>$, first-order $<\beta>$ and second-order hyperpolarizability $<\gamma>$ are calculated here. Maximum value of $<\alpha>$, $<\beta>$ and $<\gamma>$ are observed for different QDs. The variation of NLO responses with perturbing electric field leads to feasibility of applications in optoelectronics.

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“…[40] The electronic transport has been enhanced for boron and nitrogen codoped phagraphene nanoribbons. [41][42][43][44] Similarly, B/N (B-N) doping at equivalent and non-equivalent sites of graphene reveals exotic electronic and optical properties. [45,46] However, the deficiencies of graphene as a thermoelectric material can be overcome for phagraphene due to its Stone-Wales like defective nature.…”

Section: Introductionmentioning

confidence: 99%

Optical and Thermoelectric Behavior of Phagraphene with Site‐Specific B‐N Co‐Doping

Ghosh

Ghosal

Jana

2022

Advcd Theory and Sims

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Phagraphene is a theoretically predicted sp 2 hybridized, se-mimetallic allotrope of graphene. The semimetallic nature of phagraphene is robust against external strain and B-N co-doping. Being experimentally realized in a nanoribbon form, this is quite fascinating in the present scenario. In this theoretical study, optical and thermoelectric properties of phagraphene and its site-dependent B-N co-doped analogous configurations are critically investigated employing density functional theory. As a consequence of inherent rectangular symmetry and direction-dependent behavior of the structures, anisotropic optical responses are obtained. The strain-induced optical responses further confirm these observations. Different positions of the optical peaks for distinct configurations lead to an elegant way of structural identifications. The absorption spectra of the structures reveal that low-energy optical transitions take place due to p z orbitals. Besides, static dielectric constant and refractive index are enhanced for the co-doped structures. Furthermore, the thermoelectric responses of the structures are explored by adapting the semi-classical Boltzmann transport equation. Importantly, a significantly higher figure of merit has been perceived, which is quite uncommon among graphene allotropes.

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Electronic transport in zigzag PhaGraphene NanoRibbon doped with boron and nitrogen

Cited by 12 publications

References 50 publications

Adsorption of C₂H₂ on heteroatom-decorated graphene

Adsorption of C₂H₂ on heteroatom-decorated graphene

Nonlinear optical response and characteristic Raman spectra of phagraphene quantum dots

Optical and Thermoelectric Behavior of Phagraphene with Site‐Specific B‐N Co‐Doping

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Electronic transport in zigzag PhaGraphene NanoRibbon doped with boron and nitrogen

Cited by 12 publications

References 50 publications

Adsorption of C2H2 on heteroatom-decorated graphene

Adsorption of C2H2 on heteroatom-decorated graphene

Nonlinear optical response and characteristic Raman spectra of phagraphene quantum dots

Optical and Thermoelectric Behavior of Phagraphene with Site‐Specific B‐N Co‐Doping

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Adsorption of C₂H₂ on heteroatom-decorated graphene

Adsorption of C₂H₂ on heteroatom-decorated graphene