Vapor transport deposition and epitaxy of orthorhombic SnS on glass and NaCl substrates

Photovoltaic cells based on SnS as the absorber layer show promise for efficient solar devices containing non-toxic materials that are abundant enough for large scale production. The efficiency of SnS cells has been increasing steadily, but various loss mechanisms in the device, related to the presence of defects in the material, have so far limited it far below its maximal theoretical value. In this work we perform first principles, density-functional-theory calculations to examine the behavior and nature of both intrinsic and extrinsic defects in the SnS absorber layer. We focus on the elements known to exist in the environment of SnS-based photovoltaic devices during growth. In what concerns intrinsic defects, our calculations support the current understanding of the role of the Sn vacancy (VSn) acceptor defect, namely that it is responsible for the p-type conductivity in SnS. We also present calculations for extrinsic defects and make extensive comparison to experimental expectations. Our detailed treatment of electrostatic correction terms for charged defects provides theoretical predictions on both the high-frequency and low-frequency dielectric tensors of SnS.

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“…6,41 The calculated formation enthalpies for defects associated with the presence of Na and Mo atoms are shown in Fig. 6.…”

Section: E Substrate-related Defects: Na and Momentioning

confidence: 99%

First principles study of point defects in SnS

Malone

Gali

Kaxiras

2014

Phys. Chem. Chem. Phys.

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“…21 The fact that Sn chalcogenides can exist in three different bulk crystal structures with different chalcogen contents (e.g., SnS 2 , Sn 2 S 3 , and SnS) not only makes these materials interesting but also causes complications: The absence of a fixed stoichiometry implies that several phases may be present both in source materials (precursor powders, evaporation materials, and sputtering targets) and in the resulting films. 8,22 Sousa et al recently suggested thermal annealing of sputtered SnS 2 films as a possible route toward single-phase SnS for photovoltaics, 23 using the fact that the composition can be continuously varied across the entire spectrum of materials via introduction of defects such as sulfur vacancies (V S ). Such defects, which are likely to be abundant as they can be produced in material synthesis as well as during thermal processing or by interaction with energetic electron or ion beams, can strongly affect light absorption and emission.…”

mentioning

confidence: 99%

Luminescence of defects in the structural transformation of layered tin dichalcogenides

Sutter

Komsa

Krasheninnikov

et al. 2017

Applied Physics Letters

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Layered tin sulfide semiconductors are both of fundamental interest and attractive for energy conversion applications. Sn sulfides crystallize in several stable bulk phases with different Sn:S ratios (SnS 2 , Sn 2 S 3 , and SnS), which can transform into phases with a lower sulfur concentration by introduction of sulfur vacancies (V S). How this complex behavior affects the optoelectronic properties remains largely unknown but is of key importance for understanding light-matter interactions in this family of layered materials. Here, we use the capability to induce V S and drive a transformation between few-layer SnS 2 and SnS by electron beam irradiation, combined with in-situ cathodoluminescence spectroscopy and ab-initio calculations to probe the role of defects in the luminescence of these materials. In addition to the characteristic band-edge emission of the endpoint structures, our results show emerging luminescence features accompanying the SnS 2 to SnS transformation. Comparison with calculations indicates that the most prominent emission in SnS 2 with sulfur vacancies is not due to luminescence from a defect level but involves recombination of excitons bound to neutral V S in SnS 2. These findings provide insight into the intrinsic and defect-related optoelectronic properties of Sn chalcogenide semiconductors.

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“…The stac form CZTS with a bandgap of 1.4 device was produced using Mo/CZTS/CdS/ZnO/Al:ZnO and and rectifying behavior (see Fig. 2 SnS solar cell devices were produced by vapor transport deposition (VTD) [9], which is a proven low-cost manufacturing method for commercial CdTe-based solar modules [11,12]. If high performance SnS-based solar cells can be fabricated using VTD, commercial adoption can also leverage existing manufacturing equipment.…”

Section: Figure 2: Sem Cross Section Of C Reproduced From [8] With Rementioning

confidence: 99%

Development of new four-terminal, dual junction solar cell materials to overcome the Shockley-Queisser Limit

Wangperawong

2014

TENCON 2014 - 2014 IEEE Region 10 Conference

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Engineers and scientists currently know how to make silicon solar cells that are 25% efficient. This achievement has nearly reached the theoretical maximum (29%) for a single junction solar cell. How do we go beyond 29%? In order to continue reducing the costs of solar power generation, higher performance devices are necessary. Here we briefly present possible strategies along with their implementations to go beyond the Shockley-Queisser Limit. Two new materials -CZTS and SnS -are being developed for use in four-terminal, dual junction devices.

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Vapor transport deposition and epitaxy of orthorhombic SnS on glass and NaCl substrates

Cited by 51 publications

References 25 publications

First principles study of point defects in SnS

First principles study of point defects in SnS

Luminescence of defects in the structural transformation of layered tin dichalcogenides

Development of new four-terminal, dual junction solar cell materials to overcome the Shockley-Queisser Limit

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