Strain and the optoelectronic properties of nonplanar phosphorene monolayers

Mehboudi, Mehrshad; Utt, Kainen L.; Terrones, Humberto; Harriss, Edmund; Sanjuan, Alejandro A. Pacheco; Barraza‐Lopez, Salvador

doi:10.1073/pnas.1500633112

Cited by 63 publications

(78 citation statements)

References 60 publications

(128 reference statements)

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“…This structure, without surface dangling This is the post-peer reviewed version of the following article: J. Quereda et al "Strong modulation of optical properties in black phosphorus through strain-engineered rippling" Nano Letters (2016) DOI:10.1021/acs.nanolett.5b04670 Which has been published in final form at: http://pubs.acs.org/doi/abs/10.1021/acs.nanolett.5b04670 3 bonds, allows black phosphorus susceptible to withstand very large localized deformations without breaking (similarly to graphene and MoS2). [13][14][15] Its outstanding mechanical resilience makes black phosphorus a prospective candidate for strain engineering, i.e. the modification of a material's optical/electrical properties by means of mechanical stress.…”

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Strong Modulation of Optical Properties in Black Phosphorus through Strain-Engineered Rippling

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and (A.C-G.) andres.castellanos@imdea.org KEYWORDS. Black phosphorus, strain engineering, uniaxial strain, local strain, periodic deformation, quantum confinement, optical absorption. This is the post-peer reviewed version of the following article: J. Quereda et al. "Strong modulation of optical properties in black phosphorus through strain-engineered rippling" Nano Letters (2016) DOI:10.1021/acs.nanolett.5b04670 Which has been published in final form at: http://pubs.acs.org/doi/abs/10.1021/acs.nanolett.5b04670 2 ABSTRACT Controlling the bandgap through local-strain engineering is an exciting avenue for tailoring optoelectronic materials. Two-dimensional crystals are particularly suited for this purpose because they can withstand unprecedented non-homogeneous deformations before rupture: one can literally bend them and fold them up almost like a piece of paper. Here, we study multi-layer black phosphorus sheets subjected to periodic stress to modulate their optoelectronic properties. We find a remarkable shift of the optical absorption band-edge of up to ~0.7 eV between the regions under tensile and compressive stress, greatly exceeding the strain tunability reported for transition metal dichalcogenides. This observation is supported by theoretical models which also predict that this periodic stress modulation can yield to quantum confinement of carriers at low temperatures. The possibility of generating large strain-induced variations in the local density of charge carriers opens the door for a variety of applications including photovoltaics, quantum optics and two-dimensional optoelectronic devices. TEXT.The recent isolation of black phosphorus has unleashed the interest of the community working on 2D materials because of its interesting electronic and optical properties: narrow intrinsic gap, ambipolar field effect and high carrier mobility. [1][2][3][4][5][6][7][8][9][10][11][12] Black phosphorus is composed of phosphorus atoms held together by strong bonds forming layers that interact through weak van der Waals forces holding the layers stacked on top of each other. This structure, without surface dangling This is the post-peer reviewed version of the following article: J. Quereda et al. "Strong modulation of optical properties in black phosphorus through strain-engineered rippling" Nano Letters (2016) DOI:10.1021/acs.nanolett.5b04670 Which has been published in final form at: http://pubs.acs.org/doi/abs/10.1021/acs.nanolett.5b04670 3 bonds, allows black phosphorus susceptible to withstand very large localized deformations without breaking (similarly to graphene and MoS2). [13][14][15] Its outstanding mechanical resilience makes black phosphorus a prospective candidate for strain engineering, i.e. the modification of a material's optical/electrical properties by means of mechanical stress. 16 This is in contrast to conventional 3D semiconductors that tend to break for moderate deformations. Very recent theoretical works explore the effect of strain on the band structure and optical properties of black phosp...

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“…[13][14][15] Its outstanding mechanical resilience makes black phosphorus a prospective candidate for strain engineering, i.e. the modification of a material's optical/electrical properties by means of mechanical stress.…”

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Strong Modulation of Optical Properties in Black Phosphorus through Strain-Engineered Rippling

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“…This is an important endeavor because geometry is behind the spin diffusion in rippled graphene [44,45], behind the chemical properties of conformal (non-planar) two-dimensional crystals [5], and may even herald the strain engineering of two-dimensional crystals with atomistic defects, an area completely unexplored so far. Such discrete geometry exists [5,6,7]. There, the WignerSeitz/Voronoi unit cells that span a locally-evolving area A p are the underlying discrete geometrical objects, and the atomistic information is always preserved.…”

Section: The Discrete Geometry Of Two-dimensional Materialsmentioning

confidence: 99%

“…10 depicts the semiconducting gap at each atomic position, and the darkest color indicates a 20% reduction of the gap with respect to its value in the planar structure, due to the curvature-induced structural compression [51] discussed in previous paragraph. Thus, topological defects can help in tuning the local gap of phosphorene [7].…”

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Discrete differential geometry and the properties of conformal two-dimensional materials

Barraza‐Lopez

2015

Synthetic Metals

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Two-dimensional materials were first isolated no longer than ten years ago, and a comprehensive understanding of their properties under non-planar shapes is still being developed. Strictly speaking, the theoretical study of the properties of graphene and other two-dimensional materials is the most complete for planar structures and for structures with small deformations from planarity. The opposite limit of large deformations is yet to be studied comprehensively but that limit is extremely relevant because it determines material properties near the point of failure. We are exploring uses for discrete differential geometry within the context of graphene and other two-dimensional materials, and these concepts appear promising in linking materials properties to shape regardless of how large a given material deformation is. A brief account of additional contributions arising from our group to two-dimensional materials that include graphene, stanene and phosphorene is provided towards the end of this manuscript.

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Applications of Phosphorene and Black Phosphorus in Energy Conversion and Storage Devices

Pang

Bachmatiuk

Yin

et al. 2017

Advanced Energy Materials

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Black phosphorus was first synthesized by Bridgman in 1914 [1] but has been less intensively studied in the past century due The successful isolation of phosphorene (atomic layer thick black phosphorus) in 2014 has currently aroused the interest of 2D material researchers. In this review, first, the fundamentals of phosphorus allotropes, phosphorene, and black phosphorus, are briefly introduced, along with their structures, properties, and synthesis methods. Second, the readers are presented with an overview of their energy applications. Particularly in electrochemical energy storage, the large interlayer spacing (0.53 nm) in phosphorene allows the intercalation/deintercalation of larger ions as compared to its graphene counterpart. Therefore, phosphorene may possess greater potential for high electrochemical performance. In addition, the status of lithium ion batteries as well as secondary sodium ion batteries is reviewed. Next, each application for energy generation, conversion, and storage is described in detail with milestones as well as the challenges. These emerging applications include supercapacitors, photovoltaic devices, water splitting, photocatalytic hydrogenation, oxygen evolution, and thermoelectric generators. Finally the fast-growing dynamic field of phosphorene research is summarized and perspectives on future possibilities are presented calling on the efforts of chemists, physicists, and material scientists

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Strain and the optoelectronic properties of nonplanar phosphorene monolayers

Cited by 63 publications

References 60 publications

Strong Modulation of Optical Properties in Black Phosphorus through Strain-Engineered Rippling

Strong Modulation of Optical Properties in Black Phosphorus through Strain-Engineered Rippling

Discrete differential geometry and the properties of conformal two-dimensional materials

Applications of Phosphorene and Black Phosphorus in Energy Conversion and Storage Devices

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