Tetragonal Silicene and Germanene Quantum Dots: Candidates for Enhanced Nonlinear Optical and Photocatalytic Activity

Ghosal, Shibnath; Nath, S.; Bandyopadhyay, Amitava; Sen, Sabyasachi

doi:10.1021/acs.jpcc.1c06583

Cited by 13 publications

(6 citation statements)

References 80 publications

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“…These EOPE and SHG values are much higher than hexagonal and tetragonal graphene allotropes. Briefly, the high values of first-order hyperpolarizabilities are due to delocalized π electrons in the systems, which have been observed in other materials also [81].…”

Section: Nlo Propertiesmentioning

confidence: 75%

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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Section: Nlo Propertiesmentioning

confidence: 75%

Nonlinear optical response and characteristic Raman spectra of phagraphene quantum dots

Ghosh

Nath²,

Sen

et al. 2023

Phys. Scr.

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“…Germanene quantum dots, a fascinating frontier in nanoelectronics, hold great promise for a variety of applications. 73 One of the exciting applications of germanene quantum dots lies in their integration into nanoelectronic devices. Due to their size and tunable electronic properties, they offer precise control over charge carriers.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

Spintronics on Demand: Optically Tunable Kondo-Type Phenomena in Germanene-Azobenzene Single-Molecule Junctions

Sarmah,

Sarma,

Nakajima

et al. 2024

J. Phys. Chem. C

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This study delves into the exploration of AZB–germanene composite systems, which are known for their intriguing characteristics, including the emergence of Kondo features and the precise manipulation of electronic spin induced by light exposure. The spin-polarized signature within trans-AZB exerts a significant influence on the band structure near the Fermi level, highlighting the critical role of conformational changes within the AZB component in regulating the magnetoelectronic coupling within the composite system. The research systematically analyzed the intricate interplay of electronic states within these systems with a specific focus on the potential observation of Kondo-like resonance in the trans-AZB–Ge system, resulting in the development of a spin-polarized electronic current within the junction. Theoretical insights suggest that the presence of a Kondo-like effect has the potential to significantly impact the electronic and magnetic properties of the system, making it a promising avenue for precise electronic control within the field of molecular electronics.

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“…Suitable doping of foreign elements (with B/N atoms) can also results enhancement in ZT of silicene [138]. Silicene quantum dots depending upon morphology can also be well suited for thermal transport applications [10].…”

Section: Constructing Heterostructure or Superlatticementioning

confidence: 99%

“…The next element after carbon along group-IV is silicon. The hexagonal monolayer of silicon is known as silicene [6][7][8][9][10][11][12][13].…”

Section: Introductionmentioning

confidence: 99%

A review on transport characteristics and bio-sensing applications of silicene

Ghosal,

Bandyopadhyay,

Chowdhury

et al. 2023

Rep. Prog. Phys.

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Silicene, a silicon counterpart of graphene, hass been predicted to possess massless Dirac fermions.Compared to graphene, the effective spin–orbit interaction is quite significant compared to grapheneand as a result, buckling in silicene opens a gap of 1.55 meV at the Dirac point. This band gap can befurther tailored by applying in plane stress, an external electric field, chemical functionalization anddefects. This special feature allows silicene and its various derivatives as potential candidates fordevice applications. In this short review, we would like to explore the transport features of the pristinesilicene and its possible nano derivatives. Besides, the recent progress in biosensor applications ofsilicene and its hetero-structures will be highlighted.We hope the results obtained from recentexperimental and theoretical studies in silicene will setup a benchmark in diverse applications such asin spintronics, bio-sensing and opto-electronic devices.

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Tetragonal Silicene and Germanene Quantum Dots: Candidates for Enhanced Nonlinear Optical and Photocatalytic Activity

Cited by 13 publications

References 80 publications

Nonlinear optical response and characteristic Raman spectra of phagraphene quantum dots

Nonlinear optical response and characteristic Raman spectra of phagraphene quantum dots

Spintronics on Demand: Optically Tunable Kondo-Type Phenomena in Germanene-Azobenzene Single-Molecule Junctions

A review on transport characteristics and bio-sensing applications of silicene

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