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InSe/Te van der Waals Heterostructure as a High-Efficiency Solar Cell from Computational Screening.

ABSTRACT: Designing the electronic structures of the van der Waals (vdW) heterostructures to obtain high-efficiency solar cells showed a fascinating prospect. In this work, we screened the potential of vdW heterostructures for solar cell application by combining the group III-VI MX_A (M = Al, Ga, In and X_A = S, Se, Te) and elementary group VI X_B (X_B = Se, Te) monolayers based on first-principle calculations. The results highlight that InSe/Te vdW heterostructure presents type-II electronic band structure feature with a band gap of 0.88 eV, where tellurene and InSe monolayer are as absorber and window layer, respectively. Interestingly, tellurene has a 1.14 eV direct band gap to produce the photoexcited electron easily. Furthermore, InSe/Te vdW heterostructure shows remarkably light absorption capacities and distinguished maximum power conversion efficiency (PCE) up to 13.39%. Our present study will inspire researchers to design vdW heterostructures for solar cell application in a purposeful way.

SUBMITTER: Ma Z

PROVIDER: S-EPMC8306732 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Light generation and harvesting in a van der Waals heterostructure.

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| S-EPMC3971963 | biostudies-other

Franckeite as a naturally occurring van der Waals heterostructure.

Project description:The fabrication of van der Waals heterostructures, artificial materials assembled by individual stacking of 2D layers, is among the most promising directions in 2D materials research. Until now, the most widespread approach to stack 2D layers relies on deterministic placement methods, which are cumbersome and tend to suffer from poor control over the lattice orientations and the presence of unwanted interlayer adsorbates. Here, we present a different approach to fabricate ultrathin heterostructures by exfoliation of bulk franckeite which is a naturally occurring and air stable van der Waals heterostructure (composed of alternating SnS2-like and PbS-like layers stacked on top of each other). Presenting both an attractive narrow bandgap (<0.7 eV) and p-type doping, we find that the material can be exfoliated both mechanically and chemically down to few-layer thicknesses. We present extensive theoretical and experimental characterizations of the material's electronic properties and crystal structure, and explore applications for near-infrared photodetectors.

| S-EPMC5316837 | biostudies-literature

The Interaction of Hydrogen with the van der Waals Crystal γ-InSe.

Project description:The emergence of the hydrogen economy requires development in the storage, generation and sensing of hydrogen. The indium selenide ( γ -InSe) van der Waals (vdW) crystal shows promise for technologies in all three of these areas. For these applications to be realised, the fundamental interactions of InSe with hydrogen must be understood. Here, we present a comprehensive experimental and theoretical study on the interaction of γ -InSe with hydrogen. It is shown that hydrogenation of γ -InSe by a Kaufman ion source results in a marked quenching of the room temperature photoluminescence signal and a modification of the vibrational modes of γ -InSe, which are modelled by density functional theory simulations. Our experimental and theoretical studies indicate that hydrogen is incorporated into the crystal preferentially in its atomic form. This behaviour is qualitatively different from that observed in other vdW crystals, such as transition metal dichalcogenides, where molecular hydrogen is intercalated in the vdW gaps of the crystal, leading to the formation of "bubbles" for hydrogen storage.

| S-EPMC7321205 | biostudies-literature

Valley-polarized exciton currents in a van der Waals heterostructure.

Project description:Valleytronics is an appealing alternative to conventional charge-based electronics that aims at encoding data in the valley degree of freedom, that is, the information as to which extreme of the conduction or valence band carriers are occupying. The ability to create and control valley currents in solid-state devices could therefore enable new paradigms for information processing. Transition metal dichalcogenides (TMDCs) are a promising platform for valleytronics due to the presence of two inequivalent valleys with spin-valley locking1 and a direct bandgap2,3, which allows optical initialization and readout of the valley state4,5. Recent progress on the control of interlayer excitons in these materials6-8 could offer an effective way to realize optoelectronic devices based on the valley degree of freedom. Here, we show the generation and transport over mesoscopic distances of valley-polarized excitons in a device based on a type-II TMDC heterostructure. Engineering of the interlayer coupling results in enhanced diffusion of valley-polarized excitons, which can be controlled and switched electrically. Furthermore, using electrostatic traps, we can increase the exciton concentration by an order of magnitude, reaching densities in the order of 1012 cm-2, opening the route to achieving a coherent quantum state of valley-polarized excitons via Bose-Einstein condensation.

| S-EPMC6897556 | biostudies-literature

High broad-band photoresponsivity of mechanically formed InSe-graphene van der Waals heterostructures.

Project description:High broad-band photoresponsivity of mechanically formed InSe-graphene van der Waals heterostructures is achieved by exploiting the broad-band transparency of graphene, the direct bandgap of InSe, and the favorable band line up of InSe with graphene. The photoresponsivity exceeds that for other van der Waals heterostructures and the spectral response extends from the near-infrared to the visible spectrum.

| S-EPMC4768130 | biostudies-literature

Bias-controlled multi-functional transport properties of InSe/BP van der Waals heterostructures.

Project description:Van der Waals (vdW) heterostructures, consisting of a variety of low-dimensional materials, have great potential use in the design of a wide range of functional devices thanks to their atomically thin body and strong electrostatic tunability. Here, we demonstrate multi-functional indium selenide (InSe)/black phosphorous (BP) heterostructures encapsulated by hexagonal boron nitride. At a positive drain bias (VD), applied on the BP while the InSe is grounded, our heterostructures show an intermediate gate voltage (VBG) regime where the current hardly changes, working as a ternary transistor. By contrast, at a negative VD, the device shows strong negative differential transconductance characteristics; the peak current increases up to ~5 μA and the peak-to-valley current ratio reaches 1600 at VD = -2 V. Four-terminal measurements were performed on each layer, allowing us to separate the contributions of contact resistances and channel resistance. Moreover, multiple devices with different device structures and contacts were investigated, providing insight into the operation principle and performance optimization. We systematically investigated the influence of contact resistances, heterojunction resistance, channel resistance, and the thickness of BP on the detailed operational characteristics at different VD and VBG regimes.

| S-EPMC8041794 | biostudies-literature

Enhancement of Carrier Mobility in Multilayer InSe Transistors by van der Waals Integration.

Project description:Two-dimensional material indium selenide (InSe) holds great promise for applications in electronics and optoelectronics by virtue of its fascinating properties. However, most multilayer InSe-based transistors suffer from extrinsic scattering effects from interface disorders and the environment, which cause carrier mobility and density fluctuations and hinder their practical application. In this work, we employ the non-destructive method of van der Waals (vdW) integration to improve the electron mobility of back-gated multilayer InSe FETs. After introducing the hexagonal boron nitride (h-BN) as both an encapsulation layer and back-gate dielectric with the vdW interface, as well as graphene serving as a buffer contact layer, the electron mobilities of InSe FETs are substantially enhanced. The vdW-integrated devices exhibit a high electron mobility exceeding 103 cm2 V-1 s-1 and current on/off ratios of ~108 at room temperature. Meanwhile, the electron densities are found to exceed 1012 cm-2. In addition, the fabricated devices show an excellent stability with a negligible electrical degradation after storage in ambient conditions for one month. Electrical transport measurements on InSe FETs in different configurations suggest that a performance enhancement with vdW integration should arise from a sufficient screening effect on the interface impurities and an effective passivation of the air-sensitive surface.

| S-EPMC10892934 | biostudies-literature

Electrical control of quantum emitters in a Van der Waals heterostructure.

Project description:Controlling and manipulating individual quantum systems in solids underpins the growing interest in the development of scalable quantum technologies. Recently, hexagonal boron nitride (hBN) has garnered significant attention in quantum photonic applications due to its ability to host optically stable quantum emitters. However, the large bandgap of hBN and the lack of efficient doping inhibits electrical triggering and limits opportunities to study the electrical control of emitters. Here, we show an approach to electrically modulate quantum emitters in an hBN-graphene van der Waals heterostructure. We show that quantum emitters in hBN can be reversibly activated and modulated by applying a bias across the device. Notably, a significant number of quantum emitters are intrinsically dark and become optically active at non-zero voltages. To explain the results, we provide a heuristic electrostatic model of this unique behavior. Finally, employing these devices we demonstrate a nearly-coherent source with linewidths of ~160 MHz. Our results enhance the potential of hBN for tunable solid-state quantum emitters for the growing field of quantum information science.

| S-EPMC9209426 | biostudies-literature

Strain induced piezoelectric effect in black phosphorus and MoS2 van der Waals heterostructure.

Project description:The structural, electronic, transport and optical properties of black phosphorus/MoS2 (BP/MoS2) van der Waals (vdw) heterostructure are investigated by using first principles calculations. The band gap of BP/MoS2 bilayer decreases with the applied normal compressive strain and a semiconductor-to-metal transition is observed when the applied strain is more than 0.85 Å. BP/MoS2 bilayer also exhibits modulation of its carrier effective mass and carrier concentration by the applied compressive strain, suggesting that mobility engineering and good piezoelectric effect can be realized in BP/MoS2 heterostructure. Because the type-II band alignment can facilitate the separation of photo-excited electrons and holes, and it can benefit from the great absorption coefficient in ultra-violet region, the BP/MoS2 shows great potential to be a very efficient ultra-violet photodetector.

| S-EPMC4639735 | biostudies-other

Atomically Sharp Interface in an h-BN-epitaxial graphene van der Waals Heterostructure.

Project description:Stacking various two-dimensional atomic crystals is a feasible approach to creating unique multilayered van der Waals heterostructures with tailored properties. Herein for the first time, we present a controlled preparation of large-area h-BN/graphene heterostructures via a simple chemical deposition of h-BN layers on epitaxial graphene/SiC(0001). Van der Waals forces, which are responsible for the cohesion of the multilayer system, give rise to an abrupt interface without interdiffusion between graphene and h-BN, as shown by X-ray Photoemission Spectroscopy (XPS) and direct observation using scanning and High-Resolution Transmission Electron Microscopy (STEM/HRTEM). The electronic properties of graphene, such as the Dirac cone, remain intact and no significant charge transfer i.e. doping, is observed. These results are supported by Density Functional Theory (DFT) calculations. We demonstrate that the h-BN capped graphene allows the fabrication of vdW heterostructures without altering the electronic properties of graphene.

| S-EPMC4653732 | biostudies-other

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