Electronic and optical properties of a Janus SnSSe monolayer: effects of strain and electric field

Nguyen, Hong T. T.; Vu, Tuan V.; Nguyen, Chương V.; Phuc, Huynh V.; Tong, Hien D.; Nguyen, Son-Tung; Hieu, Nguyen N.

doi:10.1039/d0cp01860k

Cited by 85 publications

(41 citation statements)

References 37 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…1,2 To serve a variety of purposes, scientists have sought to alter their physical and chemical properties. In addition to traditional methods such as the applications of deformation or electric eld, 3,4 placing on semiconductor substrates or the creation of heterostructures, 5,6 recently, surface functionalization has emerged as one of the effective ways to alter the physical properties of 2D materials. 7,8 Physical properties of surface-functionalized 2D monolayers have been calculated using many different methods.…”

Section: Introductionmentioning

confidence: 99%

Structural, elastic, and electronic properties of chemically functionalized boron phosphide monolayer

Kartamyshev

Hiếu

et al. 2021

RSC Adv.

Self Cite

View full text Add to dashboard Cite

show abstract

Section: Introductionmentioning

confidence: 99%

Structural, elastic, and electronic properties of chemically functionalized boron phosphide monolayer

Kartamyshev

Hiếu

et al. 2021

RSC Adv.

Self Cite

View full text Add to dashboard Cite

show abstract

“…Using first-principles calculations, Yuan et al [ 20 ] found that the formation energies of Janus MnSTe, MnSeTe, MnSSe, and VSeTe can be comparable to those of the parents MnS 2 , MnSe 2 , MnTe 2 , VSe 2 , and VTe 2 . In addition, previous ab-initio studies confirmed the chemical, dynamical, and mechanical stability of Janus monolayer SnSSe, which exhibits promising optoelectronic properties for solar cells applications and can be also used as appealing industrial waste thermoelectric materials [ 21 , 22 , 23 ].…”

Section: Introductionmentioning

confidence: 92%

“…Although many Janus monolayers have been proposed to be energetically and dynamically stable in recent years [ 19 , 20 , 21 , 22 , 23 , 24 , 25 , 26 , 27 ], less is known about their thermal stability and an explicit understanding is therefore quite necessary, especially considering various application potentials at different temperature regions. In this work, using the Janus monolayers SnXY (X, Y = O, S, Se) as a prototypical class of examples, we focus on their thermal stability by performing ab-initio molecular dynamics (AIMD) simulations at a series of temperatures.…”

Section: Introductionmentioning

confidence: 99%

The Thermal Stability of Janus Monolayers SnXY (X, Y = O, S, Se): Ab-Initio Molecular Dynamics and Beyond

Luo

Han

et al. 2021

Nanomaterials

View full text Add to dashboard Cite

In recent years, the Janus monolayers have attracted tremendous attention due to their unique asymmetric structures and intriguing physical properties. However, the thermal stability of such two-dimensional systems is less known. Using the Janus monolayers SnXY (X, Y = O, S, Se) as a prototypical class of examples, we investigate their structure evolutions by performing ab-initio molecular dynamics (AIMD) simulations at a series of temperatures. It is found that the system with higher thermal stability exhibits a smaller difference in the bond length of Sn–X and Sn–Y, which is consistent with the orders obtained by comparing their electron localization functions (ELFs) and atomic displacement parameters (ADPs). In principle, the different thermal stability of these Janus structures is governed by their distinct anharmonicity. On top of these results, we propose a simple rule to quickly predict the maximum temperature up to which the Janus monolayer can stably exist, where the only input is the ADP calculated by the second-order interatomic force constants rather than time-consuming AIMD simulations at various temperatures. Furthermore, our rule can be generalized to predict the thermal stability of other Janus monolayers and similar structures.

show abstract

“…Electronic and optical properties of Janus monolayer MoSSe are investigated in Do et al (2021) by doping of Ce and La. Impacts of electric field and strain on optical and electronic properties of the Janus monolayer Ga 2 SeTe, Ga 2 STe, SnSSe and Al 2 SSe were reported in Vu et al (2020); Nguyen et al 2020a;Nguyen et al 2020b;Nhan et al 2020). In (Cui et al 2020) the heterostructures of Janus MoSSe and ZnO are investigated.…”

Section: Introductionmentioning

confidence: 99%

Tuning the electronic and optical properties of Ga2SSe janus monolayer by adsorption of metals

Singh

Choudhary

2021

Opt Quant Electron

View full text Add to dashboard Cite

The electronic and optical properties of Janus Ga 2 SSe monolayer are tuned by adsorption of metals like Au, Ag, Al and Cu over Ga 2 SSe layer using density functional theory-based simulations. The results suggest that the absorption in pristine Ga 2 SSe monolayer is mainly in the blue region of the visible spectrum. The absorption peaks increase in magnitude and shift towards the red region of the spectrum when Au, Ag, Al, and Cu metal atoms are adsorbed over the pristine Ga 2 SSe monolayer. The absorption peaks in Al adsorbed structure are observed to increase four times larger in magnitude than in pristine Ga 2 SSe layer. Significantly higher absorption is observed in other structures as well with the absorption peaks spread in the entire visible region range (~ 410-790 nm). Refractive index and dielectric function of all structures are also calculated, and it is found that absorption is closely in line with the trends of the dielectric function. High absorption obtained in the entire visible region in the metal adsorbed structures suggest their potential applications in photovoltaic absorbers and other optoelectronics devices.

show abstract

Electronic and optical properties of a Janus SnSSe monolayer: effects of strain and electric field

Abstract: In this paper, detailed investigations of the electronic and optical properties of a Janus SnSSe monolayer under a biaxial strain and electric field using ab initio methods are presented.

Cited by 85 publications

References 37 publications

Structural, elastic, and electronic properties of chemically functionalized boron phosphide monolayer

Structural, elastic, and electronic properties of chemically functionalized boron phosphide monolayer

The Thermal Stability of Janus Monolayers SnXY (X, Y = O, S, Se): Ab-Initio Molecular Dynamics and Beyond

Tuning the electronic and optical properties of Ga2SSe janus monolayer by adsorption of metals

Contact Info

Product

Resources

About