Antimonene/bismuthene vertical Van-der Waals heterostructure: A computational study

Mozvashi, Shobair Mohammadi; Vishkayi, Sahar Izadi; Tagani, Meysam Bagheri

doi:10.1016/j.physe.2019.113914

Cited by 26 publications

(7 citation statements)

References 58 publications

(76 reference statements)

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“…For example, Mozvashi, et al have designed a heterostructure of antimonene and bismuthene in which the optical absorption in the visible region has increased by ~ 4 m -1 compared with the mother monolayers. They gained a doubled Young's modulus for the HS, which may bring hope for stronger robustness of nano-scale mirrors [23]. Moreover, Vishkayi and Bagheri show that it is possible to significantly increase the thermoelectrical efficiency of the novel C3N sheet by applying a strain perpendicular to the electrical transport, which increases potential application of this novel nano-sheet in thermoelectric and optoelectronic devices [24].…”

Section: Introductionmentioning

confidence: 99%

A DFT study on the mechanical properties of hydrogenated and fluorinated germanene sheets

Goli

Mozvashi

Aghdasi

et al. 2021

Superlattices and Microstructures

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Section: Introductionmentioning

confidence: 99%

A DFT study on the mechanical properties of hydrogenated and fluorinated germanene sheets

Goli

Mozvashi

Aghdasi

et al. 2021

Superlattices and Microstructures

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“…Hence, in addition to pure elemental monolayers, 2D materials with functionalized structures gained attention for expanding the scope of realized physical aspects and enhancing potential applications. These efforts include designing and applying various types of heterostructures 17 , defections 18 , vacancies 19 , adsorptions 20 , and compounds 21 , 22 . Among these, binary compounds have the advantage of relatively easier fine control of the growth dynamics and more feasible fabrication.…”

Section: Introductionmentioning

confidence: 99%

Prediction of hydrogenated group IV–V hexagonal binary monolayers

Mohebpour

Mozvashi

Vishkayi

et al. 2020

Sci Rep

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Group IV and V monolayers are very crucial 2D materials for their high carrier mobilities, tunable band gaps, and optical linear dichroism. Very recently, a novel group IV–V binary compound, $${\hbox {Sn}}_2{\hbox {Bi}}$$ Sn 2 Bi , has been synthesized on silicon substrate, and has shown very interesting electronic properties. Further investigations have revealed that the monolayer would be stable in freestanding form by hydrogenation. Inspired by this, by means of first-principles calculations, we systematically predict and investigate eight counterparts of $${\hbox {Sn}}_2{\hbox {Bi}}$$ Sn 2 Bi , namely $${\hbox {Si}}_2{\hbox {P}}$$ Si 2 P , $${\hbox {Si}}_2{\hbox {As}}$$ Si 2 As , $${\hbox {Si}}_2{\hbox {Sb}}$$ Si 2 Sb , $${\hbox {Si}}_2{\hbox {Bi}}$$ Si 2 Bi , $${\hbox {Ge}}_2{\hbox {P}}$$ Ge 2 P , $${\hbox {Ge}}_2{\hbox {As}}$$ Ge 2 As , $${\hbox {Ge}}_2{\hbox {Sb}}$$ Ge 2 Sb , and $${\hbox {Ge}}_2{\hbox {Bi}}$$ Ge 2 Bi . The cohesive energies, phonon dispersions, and AIMD calculations show that, similar to $${\hbox {Sn}}_2{\hbox {Bi}}$$ Sn 2 Bi , all of these freestanding monolayers are stable in hydrogenated form. These hydrogenated monolayers are semiconductors with wide band gaps, which are favorable for opto-electronic purposes. The $${\hbox {Si}}_2{\hbox {YH}}_2$$ Si 2 YH 2 and $${\hbox {Ge}}_2{\hbox {YH}}_2$$ Ge 2 YH 2 structures possess indirect and direct band gaps, respectively. They represent very interesting optical characteristics, such as good absorption in the visible region and linear dichroism, which are crucial for solar cell and beam-splitting devices, respectively. Finally, the $${\hbox {Si}}_2{\hbox {SbH}}_2$$ Si 2 SbH 2 and $${\hbox {Si}}_2{\hbox {BiH}}_2$$ Si 2 BiH 2 monolayers have suitable band gaps and band edge positions for photocatalytic water splitting. Summarily, our investigations offer very interesting and promising properties for this family of binary compounds. We hope that our predictions open ways to new experimental studies and fabrication of suitable 2D materials for next generation opto-electronic and photocatalytic devices.

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“…Similar to those of other phases of borophene, these are very outstanding results that predict mild stiffness and flexibility for the monolayer at the same time. In other words, these moduli show that borophene is way stiffer than group IV and V elementals (Y = 23 to 60 N/m) and even MoS (Y = 118 N/m), where it is more flexible than graphene (Y = 340 N/m) 49 – 53 . We can also see an anisotropic behavior as well, which is seen in most borophene phases 21 .…”

Section: Resultsmentioning

confidence: 98%

Mechanical strength and flexibility in $$\alpha '$$-4H borophene

Mozvashi

Mohebpour

Vishkayi

et al. 2021

Sci Rep

Self Cite

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Very recently, a novel phase of hydrogenated borophene, namely $$\alpha '$$ α ′ -4H, has been synthesized in a free-standing form. Unlike pure borophenes, this phase shows very good stability in the air environment and possesses semiconducting characteristics. Because of the interesting stiffness and flexibility of borophenes, herein, we systematically studied the mechanical properties of this novel hydrogenated phase. Our results show that the monolayer is stiffer (Y$$_\text {xy}$$ xy = $$\sim $$ ∼ 195 N/m) than group IV and V 2D materials and even than MoS$$_2$$ 2 , while it is softer than graphene. Moreover, similar to other phases of borophene, the inherent anisotropy of the pure monolayer increases with hydrogenation. The monolayer can bear biaxial, armchair, and zigzag strains up to 16, 10, and 14% with ideal strengths of approximately 14, 9, and 12 N/m, respectively. More interestingly, it can remain semiconductor under this range of tension. These outstanding results suggest that the $$\alpha '$$ α ′ -4H is a promising candidate for flexible nanoelectronics.

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Antimonene/bismuthene vertical Van-der Waals heterostructure: A computational study

Cited by 26 publications

References 58 publications

A DFT study on the mechanical properties of hydrogenated and fluorinated germanene sheets

A DFT study on the mechanical properties of hydrogenated and fluorinated germanene sheets

Prediction of hydrogenated group IV–V hexagonal binary monolayers

Mechanical strength and flexibility in $$\alpha '$$-4H borophene

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