Elastic behavior and intrinsic carrier mobility for monolayer SnS and SnSe: First-principles calculations

Shi, Li-Bin; Yang, Mei; Cao, Shuo; You, Qi; Niu, Ying-Yu; Wang, Yanzhou

doi:10.1016/j.apsusc.2019.06.211

Cited by 45 publications

(23 citation statements)

References 94 publications

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“…The optical and electronic properties of these novel 2D systems were also explored in the several recent theoretical works [23][24][25][26][27][28][29][30][31][32]. In general, theoretical studies offer unique tools to investigate the material properties of 2D based materials [33][34][35][36][37][38][39]. We would like to note that the hydrogen fuel yields one of the highest energy densities among all fuels, and therefore the production of this gas through the employment of the solar water splitting methods has gained remarkable attention to address greenhouse environmental issues.…”

Section: Introductionmentioning

confidence: 99%

Two-Dimensional SiP, SiAs, GeP and GeAs as Promising Candidates for Photocatalytic Applications

et al. 2019

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Group IV–V-type layered materials, such as SiP, SiAs, GeP and GeAs, are among the most attractive two-dimensional (2D) materials that exhibit anisotropic mechanical, optical and transport properties. In this short communication, we conducted density functional theory simulations to explore the prospect of SiP, SiAs, GeP and GeAs nanosheets for the water-splitting application. The semiconducting gaps of stress-free SiP, SiAs, GeP and GeAs monolayers were estimated to be 2.59, 2.34, 2.30 and 2.07 eV, respectively, which are within the desirable ranges for the water splitting. Moreover, all the considered nanomaterials were found to yield optical absorption in the visible spectrum, which is a critical feature for the employment in the solar water splitting systems. Our results furthermore confirm that the valence and conduction band edge positions in SiP, SiAs, GeP and GeAs monolayers also satisfy the requirements for the water splitting. Our results highlight the promising photocatalytic characteristics of SiP, SiAs, GeP and GeAs nanosheets for the application in solar water splitting and design of advanced hydrogen fuel cells.

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Section: Introductionmentioning

confidence: 99%

Two-Dimensional SiP, SiAs, GeP and GeAs as Promising Candidates for Photocatalytic Applications

et al. 2019

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“…Filled symbols (circle [ 42 ] and square [ 43 ] ) refer to the theoretical phonon‐limited mobility of monolayer 2D materials solved by the BTE with EPC matrix elements from first‐principles calculations. Open symbols refer to the theoretical phonon‐limited mobility of monolayer 2D materials calculated by Takagi formula [ 48 ] with effective deformation potential and mass extracted from first‐principles (triangles, [ 44 ] cross, [ 45 ] square, [ 46 ] and diamonds [ 47 ] ).…”

Section: Materials Fundamental Parameters: Proxies For Device Performancementioning

confidence: 99%

“…Also, these materials have high valley degeneracy and small deformation potentials. [ 45,47 ] The reported theoretical phonon‐limited mobility from Takagi model is as high as ≈800 cm 2 V −1 s −1 for electrons and ≈400 cm 2 V −1 s −1 for holes. [ 47 ] However, recent full band Monte–Carlo calculation predicts ≈70 cm 2 V −1 s −1 electron mobility for monolayer SnSe.…”

Section: Selection Of 2d Materialsmentioning

confidence: 99%

“…[ 45,47 ] The reported theoretical phonon‐limited mobility from Takagi model is as high as ≈800 cm 2 V −1 s −1 for electrons and ≈400 cm 2 V −1 s −1 for holes. [ 47 ] However, recent full band Monte–Carlo calculation predicts ≈70 cm 2 V −1 s −1 electron mobility for monolayer SnSe. [ 86 ] Intervalley scatterings with small energy separation between satellite valleys could lead to the mobility degradation.…”

Section: Selection Of 2d Materialsmentioning

confidence: 99%

“…The data points in Figure 3c for various 2D monolayer materials are based on the theoretical predicted effective masses and mobility. [42][43][44][45][46][47] The effective mass is extracted from the lowest energy valley from the band structure calculated by DFT. The mobility for the data points is the phonon-limited mobility, which is the highest mobility a material can achieve.…”

Section: Intrinsic Performancementioning

confidence: 99%

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Down‐scaling of transistor size in the lateral dimensions must be accompanied by a corresponding reduction in the channel thickness to ensure sufficient gate control to turn off the transistor. However, the carrier mobility of 3D bulk semiconductors degrades rapidly as the body thickness thins down due to more pronounced surface scattering. Two‐dimensional‐layered materials with perfect surface structures present a unique opportunity as they naturally have atomically thin and smooth layers while maintaining high carrier mobility. To benefit from continuous scaling, the performance of the scaled 2D transistors needs to outperform Si technology nowadays. There are already quite a few reviews discussing on the material property of potential 2D materials. It is believed that rigorous analysis based on industrial perspectives is needed. Herein, an analysis on channel material selection is presented and arguments on the four selected 2D semiconductors are provided, which can possibly meet the needs of future transistors, including WS2, SnSe, PtSe2, and InSe. The challenges and recent related research progresses for each material are also discussed.

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Recent Advances in SnSe Nanostructures beyond Thermoelectricity

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et al. 2022

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Layered SnSe is an emerging class of black phosphorus, which is non-toxic, eco-friendly, and chemically stable. Recently, SnSe nanostructures have triggered more research interest and enabled broad applications beyond demonstrating their great performances on thermoelectricity. However, there are also a great many significant studies of SnSe nanostructures beyond thermoelectricity. SnSe quantum dots, nanosheets, nanowires, and thin films with diverse morphologies have been synthesized using various chemical and physical preparation approaches. SnSe is a multi-phase semiconductor, and its nanostructures endow unique properties, including small electron effective mass, ultralow thermal conductivity, huge anisotropy, and the largest 2D piezoelectric coefficient ever predicted. The versatility of SnSe nanostructures can enable potential applications ranging from ultrafast photonics, logic devices, photodetectors, solar cells, photocatalysis, energy storage, and biology to more cutting-edge interdisciplinary subjects. In this review, the recent advances made in SnSe nanostructures are summarized, covering basics, synthesis, properties, and applications, just giving a passing comment on thermoelectricity. An in-depth perspective on the challenges and prospects of SnSe nanostructures toward broad and practical applications is also given.

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Elastic behavior and intrinsic carrier mobility for monolayer SnS and SnSe: First-principles calculations

Cited by 45 publications

References 94 publications

Two-Dimensional SiP, SiAs, GeP and GeAs as Promising Candidates for Photocatalytic Applications

Two-Dimensional SiP, SiAs, GeP and GeAs as Promising Candidates for Photocatalytic Applications

Layered Semiconducting 2D Materials for Future Transistor Applications

Recent Advances in SnSe Nanostructures beyond Thermoelectricity

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