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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

One-Dimensional Electron Gas Confined along Nanowrinkles in a Unidirectional Charge Density Wave Material

Two-dimensional (2D) materials inherently exhibit instabilities. Structurally, this may lead to modulations along the third dimension, e.g., wrinkles. Electronically, 2D instabilities can manifest themselves as charge density waves (CDWs). Although wrinkles can alter anisotropic electronic structures susceptible to forming CDWs, less is known about their impact on broken-symmetry ground states. Here, in this study, using scanning tunneling microscopy and spectroscopy, we investigate the CDW states on the wrinkled surface of DyTe 3 . We identify elongated, parallel nanoscale wrinkles stabilized by ribbon-shaped defects. Interestingly, the CDW order persists across the nanowrinkles with a gradual phase shift but is locally suppressed near the defects, where phase windings occur. In addition, these defects induce quantum confinement effects along the nanowrinkles, indicating the presence of one-dimensional metallic states with hole- like dispersion, while angle-resolved photoemission spectroscopy identifies a gap along the wrinkle direction. We ascribe this discrepancy to strain-induced changes in the Fermi surface, which lead to the closure of the gap at the sites of the nanowrinkles. Taken together, our results underscore the complex interplay between structural features and Fermi surface topology, allowing for the deliberate manipulation of quantum states in strongly correlated systems via local crystal deformations.

nanowrinkles↗
DOE OSTI2025

Unraveling Dimensional Tuning: From 2D to 3D in Covalent Organic Frameworks for Enhanced 2e – Oxygen Reduction Reaction

Covalent organic frameworks (COFs) with a two-dimensional (2D) topology have recently emerged as promising catalyst systems for the electrosynthesis of hydrogen peroxide (H 2 O 2 ) from oxygen (O 2 ). However, designing 2D catalysts to achieve higher H 2 O 2 selectivity presents a significant challenge because of the extensive layer stacking and the aggregated active sites located in the basal planes. It results in lower atom utilization, which requires attention. In this study, we present two functionally similar COFs: one with a 2D rhombus topology (2D@BT_TPA-COF) and another with a three-dimensional (3D) noninterpenetrated pts topology (3D@BT_TPA-COF). Both COFs were utilized for the 2e – oxygen reduction reaction (2e – ORR). Tunning the dimensionality from 2D to 3D resulted in an increase in H 2 O 2 selectivity from approximately ~56% to approximately ~96% (at 0.4 V) and a rise in the turnover frequency (TOF) from 0.05 to 0.08 s –1 at 0.3 V. Nonaggregated active site distribution over 3D topology, featuring higher active site exposure, provides better access to the O 2 /electrolyte and facilitates electron transfer leading to higher 2e – ORR activity and selectivity compared to the 2D counterpart.

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

Visualizing Size-Dependent Dynamics of CeO 2-δ {100}-Supported CoO x Nanoparticles Under CO 2 Hydrogenation Conditions

Carbon dioxide is a major greenhouse gas. In order to optimize processes focused on its chemical valorization, one needs detailed information about the effects of CO 2 and/or CO 2 /H 2 mixtures on the structure and morphology of metal/oxide catalysts. Here, in this study, the evolution of a catalyst with cobalt supported on CeO 2 -cube nanostructures under CO 2 hydrogenation conditions was investigated by using a set of in situ characterization techniques (X-ray absorption fine structure, X-ray diffraction, diffuse reflectance infrared Fourier transform spectroscopy, and environmental transmission electron microscopy (TEM)). The {100} facets of the ceria support displayed an unexpectedly high stability due to strong interactions with the aggregates of cobalt oxide. A significant influence of interfacial bonding between CoO x and CeO 2-δ {100} is evident through a clear preference in the orientation of CoO x nanoparticles (NPs) with respect to the substrate. For initially reduced Co/CeO 2 -cube nanostructures, a kinetically controlled oxidation of cobalt upon the introduction of CO 2 was observed during the early stages of CO 2 hydrogenation. Environmental TEM revealed the size-dependent morphological behavior of cobalt oxide NPs due to strong interactions with the CeO 2 {100} surface. When the environment was switched from H 2 to a mixture of H 2 and CO 2 at 250 °C, small CoO x NPs (in the largest dimension < 2.5 nm) rapidly transformed from a pyramidal three-dimensional (3D) form to a planar, monatomic layer attached to the concurrently oxidized CeO 2-δ {100} surface. This maximizes the number of sites available for the binding of CO 2 or reaction intermediates. The shape transformation reflected the oxophilic character of cobalt and strong metal–support interactions. The removal of CO 2 from the gas phase led to a reduction of the cobalt oxide NPs by hydrogen and a reversible two-dimensional → 3D transformation. In contrast, no significant morphological changes, apart from further oxidation, were observed for big CoO x NPs (in the largest dimension > 3 nm). These trends are not seen for nanoparticles of noble metals. The observed morphological and structural changes in the small CoO x NPs affected the stability of reaction intermediates and modified the selectivity of the CoO x /CeO 2 catalyst system for methane production.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Atomic-Scale Imaging Reveals Polar-π Interactions in Two-Dimensional Molecular Superlattices

Controlling coassembly of synthetic oligomers into binary superlattices at the atomic level is challenging. Here, we report a strategy for programming polar-π interactions in oligomeric peptoids, a class of sequence-defined peptidomimetics, facilitating the formation of homogeneous two-dimensional (2D) superlattices. N-2-phenylethyl and N-(2-perfluorophenyl)ethyl side chains, similar in size, but with contrasting electrostatic characteristics, were introduced at defined sequence positions to generate favorable dipolar aromatic interactions. The resulting nanosheets exhibit different crystal motifs depending on the side chain interactions: systems containing only one type of aromatic side chain form a parallel V-shaped motif driven by π-π interactions, whereas a combination of both types of aromatic side chains, either within one backbone or through the coassembly of two distinct peptoids, adopt an antiparallel V-shaped superlattice with higher thermal stability, driven by polar-π interactions. Cryogenic transmission electron microscopy directly resolved the packing arrangement of perfluorophenyl and phenyl rings in individual nanosheet superlattices, confirming that intermolecular polar-π interaction dominates the superlattice motifs and increases lattice stability. Molecular dynamics simulations and density functional theory calculations further substantiate the energetic favorability of polar-π interactions over π-π interactions, rationalizing the formation of homogeneous superlattices with enhanced thermal stability. Our discoveries establish a design principle for binary coassembly using sequence-defined oligomers, which enables control over unit cell geometry, lattice stability, and molecular registration through aromatic side chain polarization and sequence control. This ability to program atomic-scale binary superlattices opens new avenues for designing functional 2D soft materials.

Lee, Yen Jea [Lawrence Berkeley National Laborator↗
DOE OSTI2025

Advancing simulations of coupled electron and phonon nonequilibrium dynamics using adaptive and multirate time integration

Electronic structure calculations in the time domain provide a deeper understanding of nonequilibrium dynamics in materials. The real-time Boltzmann equation (rt-BTE), used in conjunction with accurate interactions computed from first principles, has enabled reliable predictions of coupled electron and lattice dynamics. However, the timescales and system sizes accessible with this approach are still limited, with two main challenges being the different timescales of electron and phonon interactions and the cost of computing collision integrals. As a result, only a few examples of these calculations exist, mainly for two-dimensional (2D) materials. Here we leverage adaptive and multirate time integration methods to achieve a major step forward in solving the coupled rt-BTEs for electrons and phonons. Relative to conventional (non-adaptive) time-stepping, our approach achieves a 10x speedup for a target accuracy, or greater accuracy by 3–6 orders of magnitude for the same computational cost, enabling efficient calculations in both 2D and bulk materials. This efficiency is showcased by computing the coupled electron and lattice dynamics in graphene up to ~100 ps, as well as modeling ultrafast lattice dynamics and thermal diffuse scattering maps in bulk materials (silicon and gallium arsenide). In addition to improved efficiency, our adaptive method can resolve the characteristic rates of different physical processes, thus naturally bridging different timescales. This enables simulations of longer timescales and provides a framework for modeling multiscale dynamics of coupled degrees of freedom in matter. Our work opens new opportunities for quantitative studies of nonequilibrium physics in materials, including driven lattice dynamics with phonons coupled to electrons, spin, and other degrees of freedom.

Yao, Jia [California Institute of Technology (CalT↗
DOE OSTI2025

Experimental signature of layer skyrmions and implications for band topology in twisted WSe 2 bilayers

Twisted homobilayers of transition-metal dichalcogenides have been established as an ideal platform for studying strong correlation phenomena, as exemplified by the recent discovery of fractional Chern insulator states in twisted MoTe 2 , as well as Chern insulators and unconventional superconductivity in twisted WSe 2 . In these systems, a non-trivial topology in the strongly layer-hybridized regime can arise from a spatial patterning of interlayer tunnelling amplitudes and layer-dependent potentials that yields a lattice of layer skyrmions. Here, in this work, we report experimental signatures of skyrmion textures in the layer degree of freedom of rhombohedral-stacked twisted WSe 2 homobilayers. Using scanning tunnelling spectroscopy that separately resolves the Γ-valley and K-valley moiré electronic states, we reveal opposite layer polarizations of the K valley at two different lattice sites with opposite stacking order within the moiré unit cell. These findings are consistent with the theoretically predicted layer-skyrmion texture. We also use our experimental results to parameterize a common continuum model of moiré bands in twisted bilayers, further establishing a direct correlation between the shape of the local density of states in real space and the topology of the topmost moiré band.

electronic properties and materials↗
DOE OSTI2025

Signal amplification in a solid-state sensor through asymmetric many-body echo

Electronic spins of nitrogen–vacancy centres in diamond constitute a promising system for micro- and nanoscale magnetic sensing, because of their operation under ambient conditions, ease of placement in close proximity to sensing targets and biological compatibility. At high densities, the electronic spins interact through dipolar coupling, which typically limits but can also potentially enhance sensing performance. Here we report the experimental demonstration of many-body signal amplification in a solid-state, room-temperature quantum sensor. Our approach uses time-reversed two-axis-twisting interactions, engineered through dynamical control of the quantization axis and Floquet engineering in a two-dimensional ensemble of nitrogen–vacancy centres. We observe that optimal amplification occurs when the backward evolution time equals twice the forward evolution time, in sharp contrast to the conventional Loschmidt echo. These observations can be understood as resulting from an underlying time-reversed mirror symmetry of the microscopic dynamics, providing key insights into signal amplification and opportunities for practical entanglement-enhanced quantum sensing.

quantum information↗
DOE OSTI2026

Imaging a terahertz superfluid plasmon in a two-dimensional superconductor

The superconducting gap defines the fundamental energy scale for the emergence of dissipationless transport and collective phenomena in a superconductor. In layered high-temperature cuprate superconductors, in which the Cooper pairs are confined to weakly coupled two-dimensional (2D) copper–oxygen (CuO 2 ) planes, terahertz (THz) spectroscopy at subgap millielectronvolt (meV) energies has provided crucial insights into the collective superfluid response perpendicular to the superconducting layers. However, within the CuO 2 planes, the collective superfluid response manifests as plasmonic charge oscillations at energies far exceeding the superconducting gap, obscured by strong dissipation. Here, in this study, we present spectroscopic evidence of a below-gap, 2D superfluid plasmon in few-layer Bi 2 Sr 2 CaCu 2 O 8+x and spatially resolve its deeply subdiffractive THz electrodynamics. By placing the superconductor in the near field of a spintronic THz emitter, we reveal this distinct resonance—absent in bulk samples and observed only in the superconducting phase—and determine its plasmonic nature by mapping the geometric anisotropy and dispersion. Crucially, these measurements offer a direct view of the momentum-dependent and frequency-dependent superconducting transition in two dimensions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Simulation of an inductively coupled plasma with a two-dimensional Darwin particle-in-cell code

A two-dimensional particle-in-cell code for the simulation of low-frequency electromagnetic processes in laboratory plasmas has been developed. The code uses the Darwin method omitting the electromagnetic wave propagation. The Darwin method separates the electric field into solenoidal and irrotational parts. The solenoidal electric field is calculated with a new algorithm based on the equation for the electric field vorticity. The system of linear equations in the new algorithm is readily solved using a standard iterative method. The irrotational electric field is the electrostatic field calculated with the direct implicit algorithm. The code is verified by reproducing the two-stream instability, electron electromagnetic waves, and shear Alfvén waves. The code is applied to simulate an inductively coupled plasma with the driving current flowing around the plasma region. In this simulation, a ring of dense plasma forms at the initial stage but then the density becomes maximal in the center and decays monotonically toward the walls. The skin effect is in the transitional mode between local and non-local, and the electron velocity distribution function is non-Maxwellian.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Nonlinear optics in 2D materials: From classical to quantum

Nonlinear optics has long been a cornerstone of modern photonics, enabling a wide array of technologies, from frequency conversion to the generation of ultrafast light pulses. Recent breakthroughs in two-dimensional (2D) materials have opened a frontier in this field, offering new opportunities for both classical and quantum nonlinear optics. These atomically thin materials exhibit strong light–matter interactions and large nonlinear responses, thanks to their tunable lattice symmetries, strong resonance effects, and highly engineerable band structures. In this paper, we explore the potential that 2D materials bring to nonlinear optics, covering topics from classical nonlinear optics to nonlinearities at the few-photon level. We delve into how these materials enable possibilities, such as symmetry control, phase matching, and integration into photonic circuits. The fusion of 2D materials with nonlinear optics provides insights into the fundamental behaviors of elementary excitations—such as electrons, excitons, and photons—in low-dimensional systems and has the potential to transform the landscape of next-generation photonic and quantum technologies.

2D materials↗
DOE OSTI2026

Three-dimensional high-content imaging of unstained soft tissue with subcellular resolution using a laboratory-based X-ray microscope

With increasing interest in studying biological systems across spatial scales—from centimeters down to nanometers—histology continues to be the gold standard for tissue imaging at cellular resolution, providing an essential bridge between macroscopic and nanoscopic analysis. However, its inherently destructive and two-dimensional nature limits its ability to capture the full three-dimensional complexity of tissue architecture. Here, we show that phase-contrast X-ray microscopy can enable three-dimensional virtual histology with subcellular resolution. This technique provides direct quantification of electron density without restrictive assumptions, allowing for direct characterization of cellular nuclei in a standard laboratory setting. By combining high spatial resolution and soft tissue contrast, with automated segmentation of cell nuclei, we demonstrated virtual Hematoxylin and Eosin (H&E) staining using machine learning-based style transfer, yielding volumetric datasets compatible with existing histopathological analysis tools. Furthermore, by integrating electron density and the sensitivity to nanometric features of the dark field contrast channel, we achieve stain-free, high-content imaging capable of distinguishing nuclei and extracellular matrix.

3D virtual histology↗
DOE OSTI2025

Spin qubit properties of the boron-vacancy/carbon defect in the two-dimensional hexagonal boron nitride

Spin qubit defects in two-dimensional materials have a number of advantages over those in three-dimensional hosts including simpler technologies for defect creation and control, as well as qubit accessibility. In this work, we select the V B C B defect in the hexagonal boron nitride (hBN) as a possible optically controllable spin qubit and explain its triplet ground state and neutrality. In this defect a boron vacancy is combined with a carbon dopant substituting the closest boron atom to the vacancy. Our density-functional-theory calculations confirmed that the system has dynamically stable spin triplet and singlet ground states. As revealed from our linear response GW calculations, the spin-sensitive electronic states are localized around the three undercoordinated N atoms and make local peaks in the density of electronic states within the bandgap. Using the triplet and singlet ground state energies, as well as the energies of the optically excited states, obtained from solution to the Bethe–Salpeter equation, we construct the spin-polarization cycle, which is found to be favorable for the spin qubit initialization. The calculated zero-field splitting parameters ensure that the splitting energy between the spin projections in the triplet ground state is comparable to that of the known spin qubits. We thus propose the V B C B defect in hBN as a promising spin qubit.

2D BN↗
DOE OSTI2026

High-performance nanodevices based on WGe 2⁢ N 4 monolayer

Two-dimensional (2D) 𝑀⁢𝐴 2 ⁢𝑍 4 -family monolayers (MLs) have emerged as promising semiconductors due to their element tunability and rich electronic and optoelectronic properties. In this work, using first-principles calculations, we investigate the electronic, mechanical, transport, and optoelectronic properties of WGe 2⁢ N 4 ML with a small indirect bandgap. Various nanodevices based on WGe 2 ⁢N 4 ML are studied, including pn-junction diodes, pin-junction field-effect transistors (FETs), and phototransistors. The present results reveal that the WGe 2⁢ N 4 ML exhibits high rigidity, thermal stability, and remarkable light absorption. These nanodevices demonstrate excellent performance: (1) the pn-junction diode shows a high rectification ratio and a near-Shockley-limit ideality factor, (2) the pin-junction FET exhibits significant gate voltage modulation capability with subthreshold swing as low as 71 mV/dec (close to the theoretical limit calculated based on the Boltzmann distribution), and (3) the phototransistor displays strong optoelectronic responses in the visible and ultraviolet regions. Furthermore, these findings establish WGe 2 ⁢N 4 ML as a versatile platform for developing high-performance, multifunctional nanoelectronic and optoelectronic devices, significantly expanding the application potential of 𝑀⁢𝐴 2⁢ 𝑍 4 -family materials.

2-dimensional systems↗
DOE OSTI2026

JIMWLK on a quantum computer

We propose a method for solving the Jalilian-Marian-Iancu-McLerran-Weigert-Leonidov-Kovner (JIMWLK) evolution equation on quantum computers. Our approach exploits the reformulation of the JIMWLK equation as a Lindblad master equation governing the rapidity evolution of the hadronic density matrix, as established in prior work. To render the problem tractable for quantum simulation, we introduce several approximations: the two-dimensional transverse plane is reduced to a one-dimensional radial lattice by assuming azimuthal symmetry of the jump operators; the gauge group is restricted to SU(2); and the infinite Wilson lines of the JIMWLK equation are replaced by finite Wilson links along the light-cone direction. The resulting bosonic Hilbert space is truncated using the electric field basis familiar from Hamiltonian lattice gauge theory, with states restricted to angular momenta 𝑗 ≤ 𝑗 max . We derive the matrix elements of the JIMWLK Lindblad jump operators in this basis. As a benchmark, we demonstrate rapid convergence of the fundamental dipole expectation value with 𝑗 max for both pure and mixed Gaussian initial density matrices. For the simplest truncation, 𝑗 max =1/2, we implement the Lindblad evolution using a quantum simulation algorithm verified with the Qiskit statevector simulator by decomposing the non-unitary evolution operator into a linear combination of unitaries. This work establishes a concrete pathway toward quantum simulation of high-energy quantum chromodynamics evolution equations, with direct relevance to the physics program of the Electron-Ion Collider.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Interplay of superconducting, metallic, and crystalline states of composite fermions at 𝜈 = $\frac{1}{6}$ in wide quantum wells

Evidence for developing fractional quantum Hall effect (FQHE) at filling fraction 𝜈 = 1/6 and 1/8 was recently reported in wide GaAs quantum wells [Wang et al., Phys. Rev. Lett. 134, 046502 (2025)]. In this article, we theoretically investigate the nature of the state at 𝜈 = 1/6 as a function of the quantum well width and the density by considering composite-fermion (CF) crystals, CF Fermi sea, and various kinds of paired CF states. The 𝑓-wave paired state has the lowest energy among the paired CF states. However, for parameters of interest, the energies of the CF crystal, the CF Fermi liquid, and the 𝑓-wave paired CF state are too close to distinguish. We, therefore, predict that 𝑖𝑓 the FQHE at 𝜈 = 1/6 is experimentally confirmed, this state would be an 𝑓-wave paired state of CFs, which can be verified by measurement of its thermal Hall conductance. Exact diagonalization studies on clean systems with up to eight electrons show that the ground states at 𝜈 = 𝑛/(6⁢𝑛 ± 1) are incompressible for all widths and densities we have considered, and are well described by the corresponding Laughlin and Jain states. We propose a phase diagram for large quantum well widths and densities in which at zero disorder, incompressible FQHE states are stabilized at 𝜈 = 𝑛/(6⁢𝑛 ± 1) and 𝜈 = 1/6, but in between these fillings the CF crystal is stabilized. We also present a qualitative discussion on the effects of disorder and propose a schematic phase diagram based on it. With disorder, which creates a spatial variation in the filling factor, two regimes are identified: (i) for small disorder, when the incompressible states percolate at the special fillings, FQHE with quantized Hall plateaus and vanishing longitudinal resistance should occur; and (ii) for larger disorder, when the CF crystal percolates, the longitudinal resistance rises with decreasing temperature but the domains of FQHE liquid produce minima at the special filling factors. Here, experiments are consistent with the latter scenario. We also mention a possible connection of the phase diagram presented here to a puzzling behavior observed for the fractional quantum anomalous Hall effect in pentalayer graphene.

Composite fermions↗
DOE OSTI2025

Separate Surface and Bulk Topological Anderson Localization Transitions in Disordered Axion Insulators

In topological phases of matter for which the bulk and boundary support distinct electronic gaps, there exists the possibility of decoupled mobility gaps in the presence of disorder. This is in analogy with the well-studied problem of realizing separate or concomitant bulk-boundary criticality in conventional Landau theory. Using a three-dimensional axion insulator having clean, gapped surfaces with 𝑒 2 /2⁢ℎ quantized Hall conductance, we show that the bulk and surface mobility gap evolve differently in the presence of disorder. The decoupling of the bulk and surface topology yields a regime that realizes a two-dimensional, unquantized anomalous Hall metal in the Gaussian unitary ensemble on each surface, which shares some spectral and response properties akin to the surface states of a conventional 3D topological insulator. The generality of these results, as well as extensions to other insulators and superconductors, is discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Magnetically tuned metal-insulator transition in LaAlO 3 /SrTiO 3 nanowire arrays

A wide family of two-dimensional (2D) systems, including stripe-phase superconductors, sliding Luttinger liquids, and anisotropic 2D materials, can be modeled by an array of coupled one-dimensional (1D) electron channels or nanowire arrays. Here we report experiments in arrays of conducting nanowires with gate and field tunable interwire coupling, that are programmed at the LaAlO 3 /SrTiO 3 interface. We find a magnetically tuned metal-to-insulator transition in which the transverse resistance of the nanowire array increases by up to four orders of magnitude, which can be further tuned with a gate voltage. To explain this behavior, we develop a minimal model of a coupled two-wire system where a Wenzel-Kramers-Brillouin-based approach is used to estimate the transverse tunneling conductance. We demonstrate the existence of distinct conductance features and highlight the crucial role played by the field dependence of the interwire potential barrier on transport properties. Since our model makes minimal assumptions, we expect our predictions to hold for a wide class of coupled 1D systems. The nanowire arrays can serve as model systems to understand the origin of exotic behavior in correlated materials via analog quantum simulation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Tunable phononic quantum interference induced by two-dimensional metals

Harnessing quantum interference among bosons provides opportunities due to their longer coherence time than fermions. Fano resonance, an example of quantum interference between discrete and continuous states, is marked by an asymmetric lineshape. While photon-based Fano resonance has enabled high-sensitivity molecule sensing, phonon-based Fano resonance remains underexplored because of ineffective interference between discrete phonons and electronic continuum. In this work, we report phonon-based Fano resonance in a graphene/2D Ag/SiC heterostructure, arising from frequency and lifetime matching between discrete and continuous phonons of SiC. The observed Fano asymmetry is tunable over two orders of magnitude, surpassing previously reported phonon-based systems. The 2D Ag layer restructures the interfacial SiC and facilitates resonant scattering to enhance Fano asymmetry, which is unattainable in conventional Ag. We further demonstrated that this Fano resonance allows ultrasensitive molecule detection at the single-molecule level. Our work highlights phonon-based Fano resonance, opening avenues for engineering quantum interference with phonons.

Science & Technology - Other Topics↗