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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Expanding the color palette of bicolor-emitting nanocrystals

Owing to their bright and tunable luminescence spectra, nanocrystals appear as a unique playground for light source design. Displays and lighting require white light sources that combine several narrow lines. As Kasha's rule prevents the emission of hot carriers, blends of multiple nanocrystal populations are currently the obvious strategy for broad-band source design. However, a few reports suggest that bicolor emission can also be obtained from a single particle even under weak excitation if a careful design of the exciton scattering mechanism sufficiently slows down its relaxation pathways. A key challenge remains to maintain quantum confinement for color tunability in the same structure, while simultaneously achieving a large size to leverage the critical, slower exciton diffusion or relaxation down to the ground state. In this work, we demonstrate that 2D nanoplatelets offer an original opportunity for the design of confined and large heterostructures. We demonstrate that bicolor emission is not limited to green–red pair and show that blue–yellow and purple–green emissions can be obtained from CdSe/CdTe/CdSe core/crown/crown and CdSe/CdS core/crown heterostructures, respectively.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Exchange Bias Between van der Waals Materials: Tilted Magnetic States and Field-Free Spin–Orbit-Torque Switching

Magnetic van der Waals heterostructures provide a unique platform to study magnetism and spintronics device concepts in the 2D limit. Here, studies of exchange bias from the van der Waals antiferromagnet CrSBr acting on the van der Waals ferromagnet Fe3GeTe2 (FGT) are reported. Additionally, the orientation of the exchange bias is along the in-plane easy axis of CrSBr, perpendicular to the out-of-plane anisotropy of the FGT, inducing a strongly tilted magnetic configuration in the FGT. Furthermore, the in-plane exchange bias provides sufficient symmetry breaking to allow deterministic spin–orbit torque switching of the FGT in CrSBr/FGT/Pt samples at zero applied magnetic field. A minimum thickness of the CrSBr of >10 nm is needed to provide a non-zero exchange bias at 30 K.

36 MATERIALS SCIENCE↗
DOE OSTI2022

2D materials-assisted heterogeneous integration of semiconductor membranes toward functional devices

Heterogeneous integration techniques allow the coupling of highly lattice-mismatched solid-state membranes, including semiconductors, oxides, and two-dimensional materials, to synergistically fuse the functionalities. The formation of heterostructures generally requires two processes: the combination of crystalline growth and a non-destructive lift-off/transfer process enables the formation of high-quality heterostructures. Although direct atomic interaction between the substrate and the target membrane ensures high-quality growth, the strong atomic bonds at the substrate/epitaxial film interface hinder the non-destructive separation of the target membrane from the substrate. Alternatively, a 2D material-coated compound semiconductor substrate can transfer the weakened (but still effective) surface potential field of the surface through the 2D material, allowing both high-quality epitaxial growth and non-destructive lift-off of the grown film. This Perspective reviews 2D/3D heterogeneous integration techniques, along with applications of III–V compound semiconductors and oxides. Here, the advanced heterogeneous integration methods offer an effective method to produce various freestanding membranes for stackable heterostructures with unique functionalities that can be applied to novel electrical, optoelectronic, neuromorphic, and bioelectronic systems.

2D materials↗
DOE OSTI2024

Directing Charge Carriers and Ferroelectric Domains at Lateral Interfaces in van der Waals Heterostructures

Emergent phenomena in traditional ferroelectrics are frequently observed at heterointerfaces. Accessing such functionalities in van der Waals ferroelectrics requires the formation of layered heterostructures, either vertically stacked (similar to oxide ferroelectrics) or laterally stitched (without equivalent in 3D-crystals). Here, we investigate lateral heterostructures of the ferroelectric van der Waals semiconductors SnSe and SnS. A two-step process produces ultrathin crystals comprising an SnSe core laterally joined to an SnS edge-band, as confirmed by Raman spectroscopy, transmission electron microscopy (TEM) imaging, and electron diffraction. TEM shows a moiré pattern across the SnSe core due to coverage by an ultrathin SnS layer. The ability of the lateral interface (IF) to direct excited carriers, probed by cathodoluminescence, shows electron transfer over 560 nm diffusion length from the SnS edge-band. Large, thin flakes supporting ferroelectricity allow investigating domains and domain wall interactions in uniform crystals and lateral heterostructures. Polarized optical microscopy of sub-20 nm flakes consistently shows ⟨110⟩ oriented stripe domains with mirror-twin domain walls. Heterostructures adopt two domain configurations, with domains either constrained to the SnSe core or propagating across the entire SnSe–SnS flakes. Furthermore, the combined results demonstrate multifunctional van der Waals heterostructures with high-quality IFs presenting extraordinary opportunities for manipulating carrier flows and ferroelectric domain patterns.

2D ferroelectrics↗
DOE OSTI2025

Ion-Assisted Nanoscale Material Engineering in Atomic Layers

Achieving deterministic control over the properties of low-dimensional materials with nanoscale precision is a long-sought goal. Mastering this capability has a transformative effect on the design of multifunctional electrical and optical devices. Here, we present an ion-assisted synthetic technique that enables precise control over the material composition and energy landscape of two-dimensional (2D) atomic crystals. Our method transforms binary transition-metal dichalcogenides, like MoSe2, into ternary MoS2αSe2(1-α) alloys with systematically adjustable compositions, α. By piecewise assembly of the lateral, compositionally modulated MoS2αSe2(1-α) segments within 2D atomic layers, we present a synthetic pathway toward the realization of multicompositional designer materials. Our technique enables the fabrication of advanced 2D structures with arbitrary boundaries, dimensions as small as 30 nm, and fully customizable energy landscapes. Our optical characterizations further showcase the potential for implementing tailored optoelectronics in these engineered 2D crystals.

2D materials↗
DOE OSTI2023

How Cation Migration across a 2D/3D Interface Dictates Perovskite Solar Cell Efficiency

Perovskite solar cells with 2D/3D architecture are claimed to exhibit better stability compared to pristine 3D films at room temperature. However, under illumination and/or heat, cation migration causes the exchange of the bulky spacer cations (2D phase) with the smaller A-site cations (3D phase), creating a gradient heterostructure at the 2D/3D interface. We have evaluated the performance of BA 2 MAPb 2 I 7 /MAPbI 3 (2D/3D) and MAPbI 3 (3D) solar cells at different temperatures, while simultaneously probing the absorption changes of the 2D/3D perovskite layer and the photovoltaic performance of solar cell devices. The 2D/3D solar cells were more stable at room temperature but exhibited deterioration of photovoltaic performance at high temperatures. Here, by employing in situ measurements of operating solar cells to track both the photoconversion efficiency and absorption changes at different temperatures, we show that the cation exchange at the 2D/3D interface contributes to the efficiency losses.

14 SOLAR ENERGY↗
DOE OSTI2021

Realization of semiconducting layered multiferroic heterojunctions via asymmetrical magnetoelectric coupling

Two-dimensional (2D) semiconducting multiferroics that can effectively couple magnetic and polarization (P) orders have great interest for both fundamental research and technological applications in nanoscale, which are, however, rare in nature. In this work, we propose a general mechanism to realize semiconducting 2D multiferroics via van der Waals (vdW) heterojunction engineering, as demonstrated in a typical heterostructure consisting of magnetic bilayer CrI 3 (bi-CrI 3 ) and ferroelectric monolayer In 2 Se 3 . Interestingly, the novel indirect orbital coupling between Se 4p and Cr 3d orbitals, intermediated by the interfacial I 5p orbitals, is switchable in the opposite P configurations, resulting in an unexpected mechanism of strong asymmetrical magnetoelectric coupling. Therefore, along with the noticeable ferroelectric energy barrier induced by In 2 Se 3 , the realization of opposite magnetic orders in opposite P configurations can eventually result in the novel multiferroicity in bi– CrI 3 /In 2 Se 3 . Finally, we demonstrate that our mechanism can generally be applied to design other vdW multiferroics even with tunable layer thickness.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Toward AlGaN channel HEMTs on AlN: Polarization-induced 2DEGs in AlN/AlGaN/AlN heterostructures

Due to its high breakdown electric field, the ultra-wide bandgap semiconductor AlGaN has garnered much attention recently as a promising channel material for next-generation high electron mobility transistors (HEMTs). A comprehensive experimental study of the effects of Al composition x on the transport and structural properties is lacking. We report the charge control and transport properties of polarization-induced 2D electron gases (2DEGs) in strained AlGaN quantum well channels in molecular-beam-epitaxy-grown AlN/Al x Ga 1-x N/AlN double heterostructures by systematically varying the Al content from x = 0 (GaN) to x = 0.74, spanning energy bandgaps of the conducting HEMT channels from 3.49 to 4.9 eV measured by photoluminescence. This results in a tunable 2DEG density from 0 to 3.7 × 10 13 cm 2 . The room temperature mobilities of x ≥ 0.25 AlGaN channel HEMTs were limited by alloy disorder scattering to below 50 cm 2 /(V.s) for these 2DEG densities, leaving ample room for further heterostructure design improvements to boost mobilities. A characteristic alloy fluctuation energy of ≥1.8 eV for electron scattering in AlGaN alloy is estimated based on the temperature dependent electron transport experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Interface Carriers and Enhanced Electron-Phonon Coupling Effect in Al 2 O 3 /TiO 2 Heterostructure Revealed by Resonant Inelastic Soft X-Ray Scattering

The electronic structure and the electron-phonon couplings in a novel mass-production-compatible Al 2 O 3 /TiO 2 2D electron system (2DES) are investigated using resonant inelastic soft X-ray scattering. The experimental data from the samples of various TiO 2 thicknesses unequivocally show that the Ti 3+ state indeed exists at the deep interface to serve as an n-type dopant for the 2DES. Here, the electronic structure of Ti 3+ species is scrutinized as entirely separated from that of the Ti 4+ host lattice. Furthermore, features of sub-eV energy loss phonon modes are clearly observed, indicating substantial electron-phonon coupling effects. Such low energy loss features are enhanced in thinner TiO 2 samples, implying that polaronic local lattice deformation is enhanced due to the presence of Ti 3+ . These findings suggest that the 2DES properties can be controlled via well-established TiO 2 engineering, thereby enthroning the binary oxide heterostructure as a promising candidate for 2DES device applications.

2D electron gas↗
DOE OSTI2022

Origin of the 2D Electron Gas at the SrTiO 3 Surface

Bulk SrTiO 3 is a well-known band insulator and the most common substrate used in the field of complex oxide heterostructures. Its surface and interface with other oxides, however, have demonstrated a variety of remarkable behaviors distinct from those expected. In this work, using a suite of in situ techniques to monitor both the atomic and electronic structures of the SrTiO 3 (001) surface prior to and during growth, the disappearance and re-appearance of a 2D electron gas (2DEG) is observed after the completion of each SrO and TiO 2 monolayer, respectively. The 2DEG is identified with the TiO 2 double layer present at the initial SrTiO 3 surface, which gives rise to a surface potential and mobile electrons due to vacancies within the TiO 2-x adlayer. Much like the electronic reconstruction discovered in other systems, two atomic planes are required, here supplied by the double layer. The combined in situ scattering/spectroscopy findings resolve a number of longstanding issues associated with complex oxide interfaces, facilitating the employment of atomic-scale defect engineering in oxide electronics.

2D electron gas↗
DOE OSTI2023

Electroluminescence and Plasmon-Assisted Directional Photoluminescence from 2D HgTe Nanoplatelets

In the visible range, 2D nanoplatelets (NPLs) have brought significant benefits compared to their 0D counterpart with an inherently anisotropic emission, a narrower photoluminescence (PL) signal, and new degrees of freedom to design heterostructures. Compared to the properties of cadmium chalcogenide NPLs in the visible, similar research is still mostly lacking in the infrared, in spite of existing synthetic paths to obtain narrow band gap semiconductors in 2D colloidal form. Here, in this paper, we focus on 2D HgTe NPLs and show how their PL can be stabilized through the proper choice of surface chemistry. We then demonstrate two important steps toward bright infrared light emitting diodes (LEDs) which are (i) the coupling to a plasmonic grating to control the magnitude and spatial direction of the PL signal and (ii) the observation of electroluminescence at 1300 nm, which is near telecom wavelength.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Sequential multidimensional heteroepitaxy of chalcogen-sharing 3D ZnSe and 2D MoSe 2 with quasi van der Waals interface engineering

Two-dimensional (2D) materials are emerging as a promising platform for epitaxial growth, largely free from the constraints of lattice constant and thermal expansion coefficient mismatches. Among them, transition metal dichalcogenides (TMDs), known for their superior electrical properties, are ideal for ultrathin semiconductor applications. Their unique epitaxial characteristics enable seamless integration with 3D materials, facilitating the development of gate stacks and heterojunction devices. In this regard, developing a process for growing high-quality 3D epitaxial materials before and after the growth of 2D TMDs and understanding the 2D/3D interface are crucial. This study demonstrates the sequential growth of fully epitaxial ZnSe/MoSe 2 /ZnSe heterostructures using metal-organic chemical vapor deposition. ZnSe and MoSe 2 , sharing chalcogen elements, enable large-area quasi van der Waals epitaxy with sharp interfaces without intermediate phase. Multiscale analysis involving transmission electron microscopy and density functional theory calculation reveals lattice commensurability, van der Waals gaps, termination, and interfacial reconstruction. Understanding these interactions is crucial for advancing multidimensional integration of 2D and 3D materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Magnetic Imaging with Spin Defects in Hexagonal Boron Nitride

Optically active spin defects hosted in hexagonal boron nitride (ℎ-BN) are promising candidates for the development of a two-dimensional (2D) quantum sensing unit. Here, we demonstrate quantitative magnetic imaging with ℎ-BN flakes doped with negatively charged boron-vacancy ($V^{-}_{B}$) centers through neutron irradiation. As a proof-of-concept, we image the magnetic field produced by Cr⁢Te 2 , a van der Waals ferromagnet with a Curie temperature slightly above 300 K. Compared to other quantum sensors embedded in 3D materials, the advantages of the ℎ-BN-based magnetic sensor described in this work are its ease of use, high flexibility, and, more importantly, its ability to be placed in close proximity to a target sample. Further, such a sensing unit will likely find numerous applications in 2D materials research by offering a simple way to probe the physics of van der Waals heterostructures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Effect of ground-state charge transfer on photoexcited charge transfer in transition metal dichalcogenide heterostructures

We report an experimental investigation on the effect of ground-state charge transfer and its induced electric field on photoexcited charge transfer in van der Waals heterostructures. Two heterostructure samples were fabricated by stacking an undoped WSe 2 monolayer with either a Nb-doped or undoped MoSe 2 monolayer. While no ground-state charge transfer is expected in the MoSe 2 /WSe 2 heterostructure, the doped holes in the MoSe 2 :Nb/WSe 2 heterostructure can transfer to WSe 2 , creating a space-charge electric field. By comparing the photoluminescence and time-resolved differential reflectance of the two heterostructures, we find that photoexcited hole transfer from MoSe 2 to WSe 2 is largely blocked by this field, whereas photoexcited electron transfer from WSe 2 to MoSe 2 is less affected. Furthermore, these results provide insight into the impact of doping on the charge-transfer performance of van der Waals heterostructures.

2D materials↗
DOE OSTI2025

Direct Measurement of Terahertz Conductivity in a Gated Monolayer Semiconductor

Two-dimensional semiconductors and their moiré superlattices have emerged as important platforms for investigating correlated electrons. However, many key properties of these systems, such as the frequency-dependent conductivity, remain experimentally inaccessible because of the mesoscopic sample size. Here we report a technique to directly measure the complex conductivity of electrostatically gated two-dimensional semiconductors in the terahertz frequency range. Applying this technique to a WSe2 monolayer encapsulated in hBN, we observe a clear Drude-like response between 0.1 and 1 THz, in a density range challenging to access even in DC transport. Our work opens a new avenue for studying tunable van der Waals heterostructures using terahertz spectroscopy.

2D semiconductors↗
DOE OSTI2023

Tailoring Molecular-Scale Contact at Perovskite/Polymeric Hole Transporting Material Interface for Efficient Solar Cells

Perovskite solar cells (PSCs) have delivered more than 25% of power conversion efficiency (PCE) and incorporating polymers as hole transporting layers (HTLs) can further enhance the stability of devices towards the goal of commercialization. Among various polymeric hole transporting materials, poly(triaryl amine) (PTAA) is one of the promising HTL candidates with good stability; however, the hydrophobicity of PTAA causes problematic interfacial contact with perovskite, limiting the device performance. Using molecular side-chain engineering, we successfully constructed a uniform two-dimensional (2D) perovskite interlayer with conjugated ligands, between three-dimensional (3D) perovskites and PTAA. Further, employing conjugated ligands as cohesive elements, perovskite/PTAA interfacial adhesion was significantly improved. As a result, the thin and lateral extended 2D/3D heterostructure enabled the as-fabricated PTAA-based PSCs to achieve a PCE of 23.7%, improved from the 18% of reference devices. Owing to the increased ion migration energy barrier and conformal 2D coating, unencapsulated devices with the new ligands exhibited both superior thermal stability under 60°C heating and moisture stability in ambient conditions.

14 SOLAR ENERGY↗
DOE OSTI2024

Manipulating Spin–Lattice Coupling in Layered Magnetic Topological Insulator Heterostructure via Interface Engineering

Induced magnetic order in a topological insulator (TI) can be realized either by depositing magnetic adatoms on the surface of a TI or engineering the interface with epitaxial thin film or stacked assembly of 2D van der Waals (vdW) materials. Herein, the observation of spin-phonon coupling in the otherwise non-magnetic TI Bi 2 Te 3 is reported, due to the proximity of FePS 3 (an antiferromagnet (AFM), T N ≈ 120 K), in a vdW heterostructure framework. Temperature-dependent Raman spectroscopic studies reveal deviation from the usual phonon anharmonicity originated from spin-lattice coupling at the Bi 2 Te 3 /FePS 3 interface at/below 60 K in the peak position (self-energy) and linewidth (lifetime) of the characteristic phonon modes of Bi 2 Te 3 (106 and 138 cm –1 ) in the stacked heterostructure. The Ginzburg-Landau (GL) formalism, where the respective phonon frequencies of Bi 2 Te 3 couple to phonons of similar frequencies of FePS 3 in the AFM phase, is adopted to understand the origin of the hybrid magneto-elastic modes. At the same time, the reduction of characteristic TN of FePS 3 from 120 K in isolated flakes to 65 K in the heterostructure, possibly due to the interfacial strain, which leads to smaller Fe-S-Fe bond angles as corroborated by computational studies using density functional theory (DFT). Besides, inserting hexagonal boron nitride within Bi 2 Te 3 /FePS 3 stacking regains the anharmonicity in Bi 2 Te 3 . As a result, controlling interfacial spin-phonon coupling in stacked heterostructure can have potential application in surface code spin logic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Full-film dry transfer of MBE-grown van der Waals materials

Abstract Molecular beam epitaxy (MBE) has been used to create high-quality, large-scale two-dimensional van der Waals (2D vdW) materials. However, due to the strong adhesion between the substrate and deposited materials, the peel-off and dry transfer of MBE-grown vdW films onto other substrates has been challenging. This limits the study and use of MBE films for heterogeneous integration including stacked and twisted heterostructures. In this work, we develop a polymer-assisted dry transfer method and successfully perform full-film transfer of various MBE-grown 2D vdW materials including transition metal dichalcogenides, topological insulators and 2D magnets. In particular, we transfer air-sensitive 2D magnets, characterize their magnetic properties, and compare them with as-grown materials. The results show that the transfer technique does not degrade the magnetic properties, with the Curie temperature and hysteresis loops exhibiting similar behaviors after the transfer. Our results enable further development of heterogeneous integration of 2D vdW materials based on MBE growth.

Li, Ziling (ORCID:0000000203537036)↗