Capturing 3D atomic defects and phonon localization at the 2D heterostructure interface.
Ontology highlight
ABSTRACT:
SUBMITTER: Tian X
PROVIDER: S-EPMC8443181 | biostudies-literature | 2021 Sep
REPOSITORIES: biostudies-literature
Publications
Capturing 3D atomic defects and phonon localization at the 2D heterostructure interface.
Tian Xuezeng X Yan Xingxu X Varnavides Georgios G Yuan Yakun Y Kim Dennis S DS Ciccarino Christopher J CJ Anikeeva Polina P Li Ming-Yang MY Li Lain-Jong LJ Narang Prineha P Pan Xiaoqing X Miao Jianwei J
Science advances 20210915 38
The three-dimensional (3D) local atomic structures and crystal defects at the interfaces of heterostructures control their electronic, magnetic, optical, catalytic, and topological quantum properties but have thus far eluded any direct experimental determination. Here, we use atomic electron tomography to determine the 3D local atomic positions at the interface of a MoS<sub>2</sub>-WSe<sub>2</sub> heterojunction with picometer precision and correlate 3D atomic defects with localized vibrational ...[more]
Similar Datasets
Project description:Noise within solid-state systems at low temperatures can typically be traced back to material defects. In amorphous materials, these defects are broadly described by the tunneling two-level systems (TLSs) model. TLS have recently taken on further relevance in quantum computing because they dominate the coherence limit of superconducting quantum circuits. Efforts to mitigate TLS impacts have thus far focused on circuit design, material selection, and surface treatments. Our work takes an approach that directly modifies TLS properties. This is achieved by creating an acoustic bandgap that suppresses all microwave-frequency phonons around the operating frequency of a transmon qubit. For embedded TLS strongly coupled to the transmon qubit, we measure a pronounced increase in relaxation time by two orders of magnitude, with the longest T1 time exceeding 5 milliseconds. Our work opens avenues for studying the physics of highly coherent TLS and methods for mitigating noise within solid-state quantum devices.
| S-EPMC11397498 | biostudies-literature
Project description:A general three-dimensional continuum model of phonons in two-dimensional materials is developed. Our first-principles derivation includes full consideration of the lattice anisotropy and flexural modes perpendicular to the layers and can thus be applied to any two-dimensional material. In this paper, we use the model to not only compare the phonon spectra among the group-IV materials but also to study whether these phonons differ from those of a compound material such as molybdenum disulfide. The origin of quadratic modes is clarified. Mode coupling for both graphene and silicene is obtained, contrary to previous works. Our model allows us to predict the existence of confined optical phonon modes for the group-IV materials but not for molybdenum disulfide. A comparison of the long-wavelength modes to density-functional results is included.
| S-EPMC5496570 | biostudies-other
Project description:Heterogeneous assembly of metal halide perovskites (MHPs) structures offers convenience for promoting the interfacial properties of perovskite heterojunctions, which have been widely used in the new generation of photoelectric devices. In this study, three-dimensional (3D) CsPbBr3 quantum dots (CPB QDs) were epitaxially grown on two-dimensional (2D) (BA)2PbBr4 nanoplates (BPB NPs) via self-assembly in a toluene mixing solution. The morphological, structural, and optical properties of the synthesized structure reveal that a highly-qualified interface and coherence were formed between the two different perovskites. These heterostructures (HSs) facilitate the separation and transportation of electrons and holes in opposite directions. Based on this property, a high-performance ultraviolet light detector was fabricated by depositing a layer of CPB@BPB film on a textured silicon (T-Si) substrate. The prepared CPB@BPB/T-Si detector has shown enhanced properties i.e. quick response time, high responsivity (6.9 A W-1), high detection rate (3.17 × 109 jones), and low detection limit (0.24 μW cm-2). This enhanced performance could be attributed to the large light-absorbing area, effective carrier transport channels in BPB NPs, and improved interfacial properties of the CPB@BPB HS.
| S-EPMC11349043 | biostudies-literature
Project description:Molecular self-assembly due to chemical interactions is the basis of bottom-up nanofabrication, whereas weaker intermolecular forces dominate on the scale of macromolecules. Recent advances in synthesis and characterization have brought increasing attention to two- and mixed-dimensional heterostructures, and it has been recognized that van der Waals (vdW) forces within the structure may have a significant impact on their morphology. Here, we suspend single-walled carbon nanotubes (SWCNTs) on graphene to create a model system for the study of a 1D-2D molecular interface through atomic-resolution scanning transmission electron microscopy observations. When brought into contact, the radial deformation of SWCNTs and the emergence of long-range linear grooves in graphene revealed by the three-dimensional reconstruction of the heterostructure are observed. These topographic features are strain-correlated but show no sensitivity to carbon nanotube helicity, electronic structure, or stacking order. Finally, despite the random deposition of the nanotubes, we show that the competition between strain and vdW forces results in aligned carbon-carbon interfaces spanning hundreds of nanometers.
| S-EPMC6117744 | biostudies-literature
Project description:Atomic dopants and defects play a crucial role in creating new functionalities in 2D transition metal dichalcogenides (2D TMDs). Therefore, atomic-scale identification and their quantification warrant precise engineering that widens their application to many fields, ranging from development of optoelectronic devices to magnetic semiconductors. Scanning transmission electron microscopy with a sub-Å probe has provided a facile way to observe local dopants and defects in 2D TMDs. However, manual data analytics of experimental images is a time-consuming task, and often requires subjective decisions to interpret observed signals. Therefore, an approach is required to automate the detection and classification of dopants and defects. In this study, based on a deep learning algorithm, fully convolutional neural network that shows a superior ability of image segmentation, an efficient and automated method for reliable quantification of dopants and defects in TMDs is proposed with single-atom precision. The approach demonstrates that atomic dopants and defects are precisely mapped with a detection limit of ≈1 × 1012 cm-2 , and with a measurement accuracy of ≈98% for most atomic sites. Furthermore, this methodology is applicable to large volume of image data to extract atomic site-specific information, thus providing insights into the formation mechanisms of various defects under stimuli.
| S-EPMC8373156 | biostudies-literature
Project description:Since two major criteria for melting were proposed by Lindemann and Born in the early 1900s, many simulations and observations have been carried out to elucidate the premelting phenomena largely at the crystal surfaces and grain boundaries below the bulk melting point. Although dislocations and clusters of vacancies and interstitials were predicted as possible origins to trigger the melting, experimental direct observations demonstrating the correlation of premelting with lattice defects inside a crystal remain elusive. Using atomic-column-resolved imaging with scanning transmission electron microscopy in polycrystalline BaCeO3, here we clarify the initiation of melting at two-dimensional faults inside the crystals below the melting temperature. In particular, melting in a layer-by-layer manner rather than random nucleation at the early stage was identified as a notable finding. Emphasizing the value of direct atomistic observation, our study suggests that lattice defects inside crystals should not be overlooked as preferential nucleation sites for phase transformation including melting.
| S-EPMC10119109 | biostudies-literature
Project description:In this work we demonstrate that a free-standing van der Waals heterostructure, usually regarded as a flat object, can exhibit an intrinsic buckled atomic structure resulting from the interaction between two layers with a small lattice mismatch. We studied a freely suspended membrane of well-aligned graphene on a hexagonal boron nitride (hBN) monolayer by transmission electron microscopy (TEM) and scanning TEM (STEM). We developed a detection method in the STEM that is capable of recording the direction of the scattered electron beam and that is extremely sensitive to the local stacking of atoms. A comparison between experimental data and simulated models shows that the heterostructure effectively bends in the out-of-plane direction, producing an undulated structure having a periodicity that matches the moiré wavelength. We attribute this rippling to the interlayer interaction and also show how this affects the intralayer strain in each layer.
| S-EPMC5345117 | biostudies-literature
Project description:Working with organs and extracted tissue blocks is an essential task in many medical surgery and anatomy environments. In order to prepare specimens from human donors for further analysis, wet-bench workers must properly dissect human tissue and collect metadata for downstream analysis, including information about the spatial origin of tissue. The Registration User Interface (RUI) was developed to allow stakeholders in the Human Biomolecular Atlas Program (HuBMAP) to register tissue blocks-i.e., to record the size, position, and orientation of human tissue data with regard to reference organs. The RUI has been used by tissue mapping centers across the HuBMAP consortium to register a total of 45 kidney, spleen, and colon tissue blocks, with planned support for 17 organs in the near future. In this paper, we compare three setups for registering one 3D tissue block object to another 3D reference organ (target) object. The first setup is a 2D Desktop implementation featuring a traditional screen, mouse, and keyboard interface. The remaining setups are both virtual reality (VR) versions of the RUI: VR Tabletop, where users sit at a physical desk which is replicated in virtual space; VR Standup, where users stand upright while performing their tasks. All three setups were implemented using the Unity game engine. We then ran a user study for these three setups involving 42 human subjects completing 14 increasingly difficult and then 30 identical tasks in sequence and reporting position accuracy, rotation accuracy, completion time, and satisfaction. All study materials were made available in support of future study replication, alongside videos documenting our setups. We found that while VR Tabletop and VR Standup users are about three times as fast and about a third more accurate in terms of rotation than 2D Desktop users (for the sequence of 30 identical tasks), there are no significant differences between the three setups for position accuracy when normalized by the height of the virtual kidney across setups. When extrapolating from the 2D Desktop setup with a 113-mm-tall kidney, the absolute performance values for the 2D Desktop version (22.6 seconds per task, 5.88 degrees rotation, and 1.32 mm position accuracy after 8.3 tasks in the series of 30 identical tasks) confirm that the 2D Desktop interface is well-suited for allowing users in HuBMAP to register tissue blocks at a speed and accuracy that meets the needs of experts performing tissue dissection. In addition, the 2D Desktop setup is cheaper, easier to learn, and more practical for wet-bench environments than the VR setups.
| S-EPMC8550408 | biostudies-literature
Project description:Well designed and optimized epitaxial heterostructures lie at the foundation of materials development for photovoltaic, photocatalytic, and photoelectrochemistry applications. Heterostructure materials offer tunable control over charge separation and transport at the same time preventing recombination of photogenerated excitations at the interface. Thus, it is of paramount importance that a detailed understanding is developed as the basis for further optimization strategies and design. Oxides of copper are nontoxic, low cost, abundant materials with a straightforward and stable manufacturing process. However, in individual applications, they suffer from inefficient charge transport of photogenerated carriers. Hence, in this work, we investigate the role of the interface between epitaxially aligned CuO and Cu2O to explore the potential benefits of such an architecture for more efficient electron and hole transfer. The CuO/Cu2O heterojunction nature, stability, bonding mechanism, interface dipole, electronic structure, and band bending were rationalized using hybrid density functional theory calculations. New electronic states are identified at the interface itself, which are originating neither from lattice mismatch nor strained Cu-O bonds. They form as a result of a change in coordination environment of CuO surface Cu2+ cations and an electron transfer across the interface Cu1+-O bond. The first process creates occupied defect-like electronic states above the valence band, while the second leaves hole states below the conduction band. These are constitutional to the interface and are highly likely to contribute to recombination effects competing with the improved charged separation from the suitable band bending and alignment and thus would limit the expected output photocurrent and photovoltage. Finally, a favorable effect of interstitial oxygen defects has been shown to allow for band gap tunability at the interface but only to the point of the integral geometrical contact limit of the heterostructure itself.
| S-EPMC9782378 | biostudies-literature
Project description:We present a detailed atomic-level study of defects in bilayer MoS2 using aberration-corrected transmission electron microscopy at an 80 kV accelerating voltage. Sulfur vacancies are found in both the top and bottom layers in 2H- and 3R-stacked MoS2 bilayers. In 3R-stacked bilayers, sulfur vacancies can migrate between layers but more preferably reside in the (Mo-2S) column rather than the (2S) column, indicating more complex vacancy production and migration in the bilayer system. As the point vacancy number increases, aggregation into larger defect structures occurs, and this impacts the interlayer stacking. Competition between compression in one layer from the loss of S atoms and the van der Waals interlayer force causes much less structural deformations than those in the monolayer system. Sulfur vacancy lines neighboring in top and bottom layers introduce less strain compared to those staggered in the same layer. These results show how defect structures in multilayered two-dimensional materials differ from their monolayer form.
| S-EPMC6641595 | biostudies-literature