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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Improving Photostability of Cesium-Doped Formamidinium Lead Triiodide Perovskite

Using time-resolved in situ X-ray photoelectron spectroscopy, we identify and suppress rapid degradation mechanisms for cesium-stabilized formamidinium lead iodide perovskite materials used in state-of-the-art photovoltaics. Accelerated degradation under high light intensity and heating reveals a photocatalytic reaction pathway responsible for rapid decomposition in iodide-rich compositions and a slower pathway for more stoichiometric samples. Using Avrami–Erofe’ev kinetic analysis, we find that the fast process is consistent with a 2D crystallization and growth mechanism fueled by excess halide salt at grain boundaries and surfaces. Moreover, the rate of decomposition varies dramatically with the wavelength of light used to illuminate the thin films. Furthermore, our results reveal the photodegradation mechanisms of PbI 2 and excess iodide and provide a path to increasing perovskite stability under photoexcitation.

14 SOLAR ENERGY↗
DOE OSTI2022

Thermoelectric Performance of the 2D Bi 2 Si 2 Te 6 Semiconductor

Bi 2 Si 2 Te 6 , a 2D compound, is a direct band gap semiconductor with an optical band gap of 0.25 eV, and is a promising thermoelectric material. Single-phase Bi 2 Si 2 Te 6 is prepared by a scalable ball-milling and annealing process and the highly densified polycrystalline samples are prepared by spark plasma sintering. Bi 2 Si 2 Te 6 shows a p-type semiconductor transport behavior and exhibits an intrinsically low lattice thermal conductivity of ~0.48 Wm -1 K -1 (cross-plane) at 573 K. The first-principles density functional theory calculations indicate that such low lattice thermal conductivity is derived from the interactions between acoustic phonons and low-lying optical phonons, local vibrations of Bi, the low Debye temperature and strong anharmonicity result from the unique 2D crystal structure and metavalent bonding of Bi 2 Si 2 Te 6 . The Bi 2 Si 2 Te 6 exhibits an optimal figure of merit ZT of ~0.51 at 623 K, which can be further enhanced by the substitution of Bi with Pb. Pb doping leads to a large increase in power factor S 2 σ, from ~4.0 μWcm -1 K- 2 of Bi 2 Si 2 Te 6 to ~8.0 μWcm -1 K -2 of Bi 1.98 Pb 0.02 Si 2 Te 6 at 775 K, owing to the increase in carrier concentration. Moreover, Pb doping induces a further reduction in the lattice thermal conductivity to ~0.38 Wm -1 K -1 (cross-plane) at 623 K in Bi 1.98 Pb 0.02 Si 2 Te 6 ,. The simultaneous optimization of the power factor and lattice thermal conductivity achieves a peak ZT of ~0.90 at 723 K and a high average ZT of ~0.66 at 400–773 K in Bi 1.98 Pb 0.02 Si 2 Te 6 .

36 MATERIALS SCIENCE↗
DOE OSTI2026

A tutorial on high-order harmonic generation in atoms, molecules, and condensed matter

This tutorial introduces strong-field-driven high-order harmonics, their experimental generation and characterization techniques, and their main applications including attosecond pulse generation and ultrafast spectroscopy of the target material. We begin from the use of atomic targets, where the first high-order harmonic generation (HHG) experiments were realized in the late 1980s. Then, we briefly discuss the basics of the microscopic generation mechanism and how various steps of the mechanism were exploited in applications such as generating isolated attosecond pulses and probing molecular orbitals. We introduce and describe the standard experimental approaches for condensed phase HHG, where we discuss unique technical challenges of the use of solid-state materials, such as the mitigation of plasma formation and laser damage. We cover the fundamentals of high-harmonic spectroscopy in condensed matter systems, such as wide bandgap dielectrics, semiconductors, liquid media, and 2D-crystals. We provide some examples of rapidly emerging spectroscopic capabilities, such as for probing crystal symmetries, Berry phases, and associated non-trivial topological properties of the source material. Finally, we provide an overview of the research field, including some of the challenges, opportunities, and open questions.

Attosecond pulses↗
DOE OSTI2025

Anomalous superconductivity in twisted MoTe 2 nanojunctions

Introducing superconductivity in topological materials can lead to innovative electronic phases and device functionalities. Here, we present a unique strategy for quantum engineering of superconducting junctions in moiré materials through direct, on-chip, and fully encapsulated 2D crystal growth. We achieve robust and designable superconductivity in Pd-metalized twisted bilayer molybdenum ditelluride (MoTe 2 ) and observe anomalous superconducting effects in high-quality junctions across ~20 moiré cells. Unexpectedly, the junction develops enhanced, instead of weakened, superconducting behaviors, exhibiting fluctuations to a higher critical magnetic field compared to its adjacent Pd 7 MoTe 2 superconductor. In addition, the critical current further exhibits a notable V-shaped minimum at zero magnetic field. These features are unexpected in conventional Josephson junctions and absent in junctions of natural bilayer MoTe 2 created using the same approach. We discuss implications of these observations, including the possible formation of mixed even- and odd-parity superconductivity at the moiré junctions. Our results also demonstrate a pathway to engineer and investigate superconductivity in fractional Chern insulators.

Science & Technology - Other Topics↗
DOE OSTI2023

Dual Emission Bands of a 2D Perovskite Single Crystal with Charge Transfer State Characteristics

Several hybrid halide 2D-perovskite species emit light with an emergent and controversial broadband emission Stokes-shifted down from the narrow band emission. This work uncovers the sub- and above-bandgap emission and absorption characteristics of PEA 2 PbI 4 prepared with gap states introduced during single crystal growth. Here, gap states led to coexistent intrinsic and heterostructured electronic frameworks that are selectively accessible with ultraviolet (UV) and infrared (IR) light, respectively, resulting in the phenomenon of photoluminescence (PL) switching from narrowband green to broadband red. Electron-energy dependent cathodoluminescence shows a relative increase in the broadband red PL intensity as the electron penetration depth increases from 30 nm to 2 μm, confirming the heterostructured framework is formed in the bulk of the crystal. Excitation–emission power slope of 2.5 and up-conversion pump transient absorption (TA) spectra suggest that the IR up-conversion excitation with red photoluminescence, peaked at 655 nm, is a multiphoton process occurring in the heterostructured framework through a nonlinear optical response. The energetic pathways toward the dual emission bands are revealed by pump–probe transient absorption spectroscopy, showing energetically broad gap states with high sensitivity to an IR pump are upconverted and subsequently quickly relax from high to low energy levels within 4 ps. Furthermore, the up-conversion red PL demonstrates a linear polarization with magnetic field effects, thus affirming that the band-like heterostructured framework is crystallographically aligned with characteristics of spatially extended charge-transfer states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Laser-Assisted Synthesis of Monolayer 2D MoSe 2 Crystals with Tunable Vacancy Concentrations: Implications for Gas and Biosensing

We report tuning the structural and electronic properties of atomically thin two-dimensional (2D) materials via defect and vacancy engineering is the key to enabling their potential use in various applications, including electronics, energy, and sensing devices. Vacancies are, for instance, becoming highly promising for the enhanced interaction of gases and biomolecules with 2D materials in energy and sensing applications. However, the deterministic generation of desirable vacancies with tunable concentrations remains a challenge in 2D materials due to the limitations in the current growth methods, such as the complex reaction chemistries and gas flow dynamics. Therefore, engineering defects and vacancies in 2D materials have been mainly limited to destructive top-down processes such as heating, ion bombardments, and laser postprocessing. Here, we introduce a single-step bottom-up synthesis approach for the growth of monolayer MoSe 2 crystals with tunable vacancy concentrations. This method utilizes the spatiotemporal properties and adjustable power densities of the lasers to control the vaporization dynamics of the stoichiometric MoSe 2 powders. Such a mechanism in the vaporization allows us to grow tunable stoichiometry monolayer MoSe 2–x crystals on the substrates. The localized and time-controlled (250 ms to 2 s) vaporization of the MoSe 2 powder by a CO 2 laser enables the formation of monolayer crystals with controlled vacancy concentrations ranging from ~1 to 20%. The effects of laser power, laser irradiation time, and background pressure on the tuning range and subsequent properties of the crystals are investigated and quantified using Raman and photoluminescence spectroscopy, scanning transmission electron microscopy (STEM), and time-correlated single-photon counting (TCSPC). This bottom-up synthesis is a promising approach that allows the deterministic vacancy tuning for future electronics and, in particular, gas and biosensing applications without the need for further postprocessing and potential structural disruption of the crystals.

2D materials↗
DOE OSTI2020

Applying Configurational Complexity to the 2D Ruddlesden–Popper Crystal Structure

The layered Ruddlesden–Popper crystal structure can host a broad range of functionally important behaviors. In this work, we establish extraordinary configurational disorder in a layered Ruddlesden–Popper (RP) structure using entropy stabilization assisted synthesis. A protype A 2 CuO 4 RP cuprate oxide with five cations on the A-site sublattice is designed and fabricated into epitaxial single crystal films using pulsed laser deposition. When grown on a near lattice matched substrate, the (La 0.2 Pr 0.2 Nd 0.2 Sm 0.2 Eu 0.2 ) 2 CuO 4 film features a T'-type RP structure with uniform A-site cation mixing and square-planar CuO4 units. These observations are made with a range of combined characterizations using X-ray diffraction, atomic-resolution scanning transmission electron microscopy, energy-dispersive X-ray spectroscopy, and X-ray absorption spectroscopy measurements. It is further found that heteroepitaxial strain plays an important role in crystal phase formation during synthesis. Compressive strain over ~1.5% results in the formation of a non-RP cubic phase consistent with a Cu X 2O 4 spinel structure. The ability to manipulate configurational complexity and move between 2D layered RP and 3D cubic crystal structures in cuprate and related materials promises to enable flexible design strategies for a range of functionalities, such as magnetoresistance, unconventional superconductivity, ferroelectricity, catalysis, and ion transport.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Aligned 2D carbon nanotube liquid crystals for wafer-scale electronics

Semiconducting carbon nanotubes promise faster performance and lower power consumption than Si in field-effect transistors (FETs) if they can be aligned in dense arrays. Here, we demonstrate that nanotubes collected at a liquid/liquid interface self-organize to form two-dimensional (2D) nematic liquid crystals that globally align with flow. The 2D liquid crystals are transferred onto substrates in a continuous process generating dense arrays of nanotubes aligned within ±6°, ideal for electronics. Nanotube ordering improves with increasing concentration and decreasing temperature due to the underlying liquid crystal phenomena. The excellent alignment and uniformity of the transferred assemblies enable FETs with exceptional on-state current density averaging 520 μA μm -1 at only -0.6 V, and variation of only 19%. FETs with ion gel top gates demonstrate subthreshold swing as low as 60 mV decade -1 . Deposition across a 10-cm substrate is achieved, evidencing the promise of 2D nanotube liquid crystals for commercial semiconductor electronics.

42 ENGINEERING↗
DOE OSTI2022

Two-tone Doppler cooling of radial two-dimensional crystals in a radio-frequency ion trap

We study the Doppler-cooling of radial two-dimensional (2D) Coulomb crystals of trapped barium ions in a radiofrequency trap. Ions in radial 2D crystals experience micromotion of an amplitude that increases linearly with the distance from the trap center, leading to a position-dependent frequency modulation of laser light in each ion's rest frame. We use two tones of Doppler-cooling laser light separated by approximately 100 MHz to efficiently cool distinct regions in the crystals with differing amplitudes of micromotion. This technique allows us to trap and cool more than 50 ions populating 4 shells in a radial two-dimensional crystal, where with a single tone of Doppler cooling light we are limited to 30 ions in 3 shells. Here, we also individually characterize the micromotion of all ions within the crystals, and use this information to locate the center of the trap and to determine the Matthieu parameters q x and q y .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Unraveling the Crystallization Kinetics of 2D Perovskites with Sandwich-Type Structure for High-Performance Photovoltaics

2D perovskite solar cells with high stability and high efficiency have attracted significant attention. A systematical static and dynamic structure investigation is carried out to show the details of 2D morphology evolution. A dual additive approach is used, where the synergy between an alkali metal cation and a polar solvent leads to high-quality 2D perovskite films with sandwich-type structures and vertical phase segregation. Such novel structure can induce high-quality 2D slab growth and reduce internal and surface defects, resulting in a high device efficiency of 16.48% with enhanced continuous illumination stability and improved moisture (55-60%) and thermal (85°C) tolerances. Transient absorption spectra reveal the carrier migration from low n to high n species with different kinetics. An [PbI 6 ] 4- octagon coalescence transformation mechanism coupled with metal and organic cations wrapped is proposed. By solvent vapor annealing, a recrystallization and reorientation of the 2D perovskite slabs occurs to form an ideal structure with improved device performance and stability.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Radial Two-Dimensional Ion Crystals in a Linear Paul Trap

We experimentally study two-dimensional (2D) Coulomb crystals in the “radial-2D” phase of a linear Paul trap. This phase is identified by a 2D ion lattice aligned entirely with the radial plane and is created by imposing a large ratio of axial to radial trapping potentials. Using arrays of up to 19 171 Yb + ions, we demonstrate that the structural phase boundaries of such crystals are well described by the pseudopotential approximation, despite the time-dependent ion positions driven by intrinsic micromotion. We further observe that micromotion-induced heating of the radial-2D crystal is confined to the radial plane. Finally, we verify that the transverse motional modes, which are used in most ion-trap quantum simulation schemes, are well-predictable numerically and remain decoupled and cold in this geometry. Our results establish radial-2D ion crystals as a robust experimental platform for realizing a variety of theoretical proposals in quantum simulation and computation.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Imaging two-dimensional generalized Wigner crystals

The Wigner crystal has fascinated condensed matter physicists for nearly 90 years. Signatures of two-dimensional (2D) Wigner crystals were first observed in 2D electron gases under high magnetic field, and recently reported in transition metal dichalcogenide moiré superlattices. Direct observation of the 2D Wigner crystal lattice in real space, however, has remained an outstanding challenge. Conventional scanning tunnelling microscopy (STM) has sufficient spatial resolution but induces perturbations that can potentially alter this fragile state. Here we demonstrate real-space imaging of 2D Wigner crystals in WSe 2 /WS 2 moiré heterostructures using a specially designed non-invasive STM spectroscopy technique. This employs a graphene sensing layer held close to the WSe 2 /WS 2 moiré superlattice. Local STM tunnel current into the graphene layer is modulated by the underlying Wigner crystal electron lattice in the WSe 2 /WS 2 heterostructure. Different Wigner crystal lattice configurations at fractional electron fillings of n = 1/3, 1/2 and 2/3, where n is the electron number per site, are directly visualized. The n = 1/3 and n = 2/3 Wigner crystals exhibit triangular and honeycomb lattices, respectively, to minimize nearest-neighbour occupations. The n = 1/2 state spontaneously breaks the original C3 symmetry and forms a stripe phase. Here our study lays a solid foundation for understanding Wigner crystal states in WSe 2 /WS 2 moiré heterostructures and provides an approach that is generally applicable for imaging novel correlated electron lattices in other systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
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 OSTI2024

A microscopic perspective on moiré materials

Quantum materials research has experienced a veritable renaissance in the past 6 years, with a surge of experimental reports of nearly every known electronic phase of matter and of several unique and unexpected phases, all found in an emerging class of highly tunable 2D materials, known as moiré materials1,2,3. Here, moiré materials are designed through either the rotational misalignment of identical 2D atomic crystals or the lattice mismatch of dissimilar 2D atomic crystals (Fig. 1). Both these incommensurability conditions cause long-wavelength (~10 nm) interference patterns between the two constituent atomic lattices, forming an enlarged moiré superlattice that generically hosts flat electronic bands, which are highly conducive to correlated, collective phases of matter.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Two-dimensional perovskite heterostructures for single crystal semiconductor devices

Two-dimensional (2D) perovskites have gained much attention lately owing to their excellent optoelectronic properties, chemical tunability, and environmental stability. Multiple methods have been devised to synthesize high quality 2D perovskite single crystals, and recent progress in fabricating its heterostructures is notable as well. In particular, with growing interest in 2D van der Waals heterostructures, 2D perovskites have become a strong candidate as a new building block for heterostructures to reveal unique physical properties across different interfaces. Until now, various heterostructure devices of 2D perovskite single crystals with other types of 2D materials such as transition metal dichalcogenides (TMDs) and graphene have been studied, which have shown intriguing results including interlayer excitons and enhanced electronic properties. Here, we introduce various synthetic approaches to realize 2D perovskite single crystals and unique characteristics of their single crystal heterostructures fabricated with precision, possessing sharp interfaces. Moreover, recent studies of semiconductor devices based on 2D perovskite single crystal heterostructures are discussed in-depth. New perspectives to further the horizon in the field of 2D perovskite heterostructures are suggested in this work including the consideration of metal–2D material van der Waals contact, application of dry transfer techniques, electric bias driven ion diffusion studies, and nanocrystal array fabrication. 2D perovskite heterostructure single crystal devices factoring in these novel perspectives will further uncover the true potential of these materials for highly efficient and stable semiconductor devices.

Physics↗
DOE OSTI2023

Reversible and Irreversible Layer Edge Relaxation in Laser–Radiation–Hardened 2D Organic–Inorganic Perovskite Crystals

The layer edge states or low energy state (LES) in 2D hybrid organic–inorganic perovskites demonstrate a prolonged carrier lifetime for better performance of optoelectronic devices. However, the fundamental understanding of LES in 2D perovskites is still inconclusive. Herein, a photoluminescence (PL) study of LES in 2D Ruddlesden–Popper perovskites is presented with n = 2 and n = 3 from their cleaved cross sections that are more stable than the natural edge. The PL measurements clearly observe reversible, and irreversible surface relaxations (case I and case II) in three laser intensity ranges, further supported by a PL excitation cycle from low to high laser intensity, and vice versa. The PL wavelength of LES is tunable with laser intensity and blueshifts with increasing laser intensity during irreversible surface relaxation process (case I). Fluorescence lifetime imaging (FLIM) shows that the LES has a longer lifetime than the band-edge emission in the sample without a photodegradation, while the BE lifetime becomes relatively longer in the area with a photodegradation. Furthermore, the presented laser tunable LES and the related irreversible relaxation process provide a new insight that can help improve the photostability in 2D perovskites and understand roles of LESs in optoelectronic device performance.

2D organic-inorganic perovskite↗
DOE OSTI2025

Symmetries of all lines in monolayer crystals

As `2D' materials (i.e. materials just a few atoms thick) continue to gain prominence, understanding their symmetries is critical for unlocking their full potential. In this work, we present comprehensive tables that tabulate the rod group symmetries of all crystallographic lines in all 80 layer groups, which describe the symmetries of 2D materials. These tables are analogous to the scanning tables for space groups found in Volume E of the International Tables for Crystallography, but are specifically tailored for layer groups and their applications to 2D materials. This resource will aid in the analysis of line defects, such as domain walls, which play a crucial role in determining the properties and functionality of 2D materials.

2D materials↗