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At least 307 records · Page 17

High Ion Conductive and Selective Membrane Achieved through Dual Ion Conducting Mechanisms

Conventional ion-selective membranes, that is ion-exchange and porous membranes, are unable to perform high conductivity and selectivity simultaneously due to the contradictions between their ion selecting and conducting mechanisms. Here, in this work, a bifunctional ion-selective layer is developed via the combination of nanoporous boron nitride (PBN) and ion exchange groups from Nafion to achieve high ion conductivity through dual ion conducting mechanisms as well as high ion selectivity. A template-free method is adopted to synthesize flake-like PBN, which is further enmeshed with Nafion resin to form the bifunctional layer coated onto a porous polyetherimide membrane. The double-layer membrane exhibits excellent ion selectivity (1.49 × 10 8 mS cm –3 min), which is 22 times greater than that of the pristine porous polyetherimide membrane, with outstanding ion conductivity (64 mS cm –1 ). In a vanadium flow battery, the double-layer membrane achieves a high Coulombic efficiency of 97% and outstanding energy efficiency of 91% at 40 mA cm –2 with a stable cycling performance for over 700 cycles at 100 mA cm –2 . PBN with ion exchange groups may therefore offer a potential solution to the limitation between ion selectivity and conductivity in ion-selective membranes.

36 MATERIALS SCIENCE↗

Polariton enhanced free charge carrier generation in donor–acceptor cavity systems by a second-hybridization mechanism

Cavity quantum electrodynamics has been studied as a potential approach to modify free charge carrier generation in donor–acceptor heterojunctions because of the delocalization and controllable energy level properties of hybridized light–matter states known as polaritons. However, in many experimental systems, cavity coupling decreases charge separation. In this work, we theoretically study the quantum dynamics of a coherent and dissipative donor–acceptor cavity system, to investigate the dynamical mechanism and further discover the conditions under which polaritons may enhance free charge carrier generation. We use open quantum system methods based on single-pulse pumping to find that polaritons have the potential to connect excitonic states and charge separated states, further enhancing free charge generation on an ultrafast timescale of several hundred femtoseconds. The mechanism involves polaritons with optimal energy levels that allow the exciton to overcome the high Coulomb barrier induced by electron–hole attraction. Moreover, we propose that a second-hybridization between a polariton state and dark states with similar energy enables the formation of the hybrid charge separated states that are optically active. These two mechanisms lead to a maximum of 50% enhancement of free charge carrier generation on a short timescale. However, our simulation reveals that on the longer timescale of picoseconds, internal conversion and cavity loss dominate and suppress free charge carrier generation, reproducing the experimental results. Thus, our work shows that polaritons can affect the charge separation mechanism and promote free charge carrier generation efficiency, but predominantly on a short timescale after photoexcitation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Critical Look at Coulomb Counting Approach for State of Charge Estimation in Batteries

In this paper, we consider the problem of state-of-charge estimation for rechargeable batteries. Coulomb counting is a well-known method for estimating the state of charge, and it is regarded as accurate as long as the battery capacity and the beginning state of charge are known. The Coulomb counting approach, on the other hand, is prone to inaccuracies from a variety of sources, and the magnitude of these errors has not been explored in the literature. We formally construct and quantify the state-of-charge estimate error during Coulomb counting due to four types of error sources: (1) current measurement error; (2) current integration approximation error; (3) battery capacity uncertainty; and (4) timing oscillator error/drift. It is demonstrated that the state-of-charge error produced can be either time-cumulative or state-of-charge-proportional. Time-cumulative errors accumulate over time and have the potential to render the state-of-charge estimation utterly invalid in the long term. The proportional errors of the state of charge rise with the accumulated state of charge and reach their worst value within one charge/discharge cycle. The study presents methods for reducing time-cumulative and state-of-charge-proportional mistakes through simulation analysis.

Battery management system↗

Binder-Free Graphite Anodes for Next-Generation High-Performance Lithium-Ion Batteries

High-energy density anodes are crucial for next-generation lithium-ion batteries (LIBs) particularly for electric vehicle (EV) applications. Sluggish lithium-diffusion kinetics coupled with conventional anode fabrication processes containing polymeric binders hinder fast-charging capabilities and high-energy density of graphite. Herein, we introduce a binder-free graphite anode fabrication strategy using the electrospinning technique that contains ~2.41% carbon nanotubes (CNTs). Our strategy relies on the formation of an interconnecting conductive CNT network coupled with an ultrathin N-doped carbon coating on graphite particles from sacrificial binders. This combination enhances both structural integrity and electrical conductivity and, in turn, improves fast-charging capabilities and high energy density of LIBs. The binder-free graphite anode achieves ~335.0 mAh g–1 capacity at C/3 rate over 400 cycles with capacity retention of >95% and average Coulombic efficiencies >99.95%. These promising results suggest that the binder-free anode fabrication with a multifunctional design approach could elevate the energy-density limits of the graphite anodes, solving high-energy density requirements of EVs, and potentially provides a path forward for the development of economically feasible energy storage systems for various applications.

Ozcan, Muca [ORNL] (ORCID:0000000320020474)↗

Isospin symmetry holds beyond the proton drip line: First observation of excited states in 55Cu

Isospin symmetry, combined with shell-model description, has long been successful in reproducing nuclear structure and predicting mirror energy differences. However, these descriptions have been primarily limited to mirror nuclei with well-bound ground states. As one approaches the proton drip line, coupling to the continuum becomes important. Despite this, little is known about medium-mass nuclei at the drip line. Here we report the measurement of the excitation energies of several unbound states in a nucleus beyond the proton drip line, 55Cu, performed via γ-ray spectroscopy at the Radioactive Isotope Beam Factory (RIKEN). Several low-lying yrast states are observed to decay predominantly by γ-ray emission. In contrast, the state–predicted to be strongly populated in the one-proton knockout reaction–is notably absent, suggesting that it decays primarily via prompt proton emission. We show that even for such an unbound system, shell-model calculations based on a harmonic oscillator potential reproduce the observed mirror energy differences remarkably well in all the observed states. Based on this result, we propose that a general pattern might emerge where, in medium-mass systems at the proton drip line, the stronger Coulomb barrier together with the centrifugal barrier effectively confines the wave functions, so that the shell model is able to describe low-lying states, enabling accurate predictions of mirror energy differences between isobaric analogue states.

Pigliapoco, S [Dipartimento di Fisica e Astronomia↗

Pyromellitic diimide based bipolar molecule for total organic symmetric redox flow battery

Non-aqueous redox flow batteries based on total organic electrolytes, consisting of earth-abundant elements, i.e., C, H, N, O, are regarded as a promising technology for sustainable and large-scale energy storage. In particular, bipolar redox-active organic materials (BROMs) are distinctly fascinating as electroactive species because they have multiple oxidation states and can undergo multiple redox processes. By virtue of this unique characteristic, BROMs can be utilized as both anolyte and catholyte in symmetric flow batteries, consequently, helping alleviate cross-contamination issues. Here, in this paper, we report an all-organic symmetric redox flow battery based on diimide molecule as a bipolar electroactive material. The potential interval between the cathodic peak and the inner and outer anodic peaks led to a promising cell voltage of 2.22 V. The symmetric battery can be operated at a current density of 20 mA cm -2 , with a coulombic efficiency of 90% for over 100 cycles. This work proposes an alternative approach to designing multi-electron organic redox active materials to facilitate the advancement of high-density symmetric flow batteries.

25 ENERGY STORAGE↗

The ionization state in a gas with a non-Maxwellian electron distribution

The inferred degree of ionization of a gas is often used in astrophysics as a diagnostic of the gas temperature. In the solar transition region and corona, in the outer atmospheres of cool stars, and in some portions of the interstellar medium), photoionization can be neglected, and the ionization state is fixed by the balance between ion-electron collisional ionization and dielectronic and/or radiative recombination. Under these conditions, higher degrees of ionization result from higher energy ion-electron collisions which are common in a high temperature gas. Actually, ionization occurs through collisions with electrons that have kinetic energies greater than the ionization potential of the given ion, and so the ionization rate depends on to the number of such high-energy electrons in the tail of the electron velocity distribution. High-velocity electrons move across large distances between effective coulomb collisions, and, in a strong temperature or density gradient, the tail can be overpopulated relative to Maxwell-Boltzmann distribution of equivalent energy density. Thus, the ionization rate can also be greatly increased. These effects for a parameterized form of the electron distribution function with an enhanced high-velocity tail, namely the kappa distribution are illustrated.

Owocki, S. P.↗

Results From Mars Show Electrostatic Charging of the Mars Pathfinder Sojourner Rover

Indirect evidence (dust accumulation) has been obtained indicating that the Mars Pathfinder rover, Sojourner, experienced electrostatic charging on Mars. Lander camera images of the Sojourner rover provide distinctive evidence of dust accumulation on rover wheels during traverses, turns, and crabbing maneuvers. The sol 22 (22nd Martian "day" after Pathfinder landed) end-of-day image clearly shows fine red dust concentrated around the wheel edges with additional accumulation in the wheel hubs. A sol 41 image of the rover near the rock "Wedge" (see the next image) shows a more uniform coating of dust on the wheel drive surfaces with accumulation in the hubs similar to that in the previous image. In the sol 41 image, note particularly the loss of black-white contrast on the Wheel Abrasion Experiment strips (center wheel). This loss of contrast was also seen when dust accumulated on test wheels in the laboratory. We believe that this accumulation occurred because the Martian surface dust consists of clay-sized particles, similar to those detected by Viking, which have become electrically charged. By adhering to the wheels, the charged dust carries a net nonzero charge to the rover, raising its electrical potential relative to its surroundings. Similar charging behavior was routinely observed in an experimental facility at the NASA Lewis Research Center, where a Sojourner wheel was driven in a simulated Martian surface environment. There, as the wheel moved and accumulated dust (see the following image), electrical potentials in excess of 100 V (relative to the chamber ground) were detected by a capacitively coupled electrostatic probe located 4 mm from the wheel surface. The measured wheel capacitance was approximately 80 picofarads (pF), and the calculated charge, 8 x 10(exp -9) coulombs (C). Voltage differences of 100 V and greater are believed sufficient to produce Paschen electrical discharge in the Martian atmosphere. With an accumulated net charge of 8 x 10(exp -9) C, and average arc time of 1 msec, arcs can also occur with estimated arc currents approaching 10 milliamperes (mA). Discharges of this magnitude could interfere with the operation of sensitive electrical or electronic elements and logic circuits. Sojourner rover wheel tested in laboratory before launch to Mars. Before launch, we believed that the dust would become triboelectrically charged as it was moved about and compacted by the rover wheels. In all cases observed in the laboratory, the test wheel charged positively, and the wheel tracks charged negatively. Dust samples removed from the laboratory wheel averaged a few ones to tens of micrometers in size (clay size). Coarser grains were left behind in the wheel track. On Mars, grain size estimates of 2 to 10 mm were derived for the Martian surface materials from the Viking Gas Exchange Experiment. These size estimates approximately match the laboratory samples. Our tentative conclusion for the Sojourner observations is that fine clay-sized particles acquired an electrostatic charge during rover traverses and adhered to the rover wheels, carrying electrical charge to the rover. Since the Sojourner rover carried no instruments to measure this mission's onboard electrical charge, confirmatory measurements from future rover missions on Mars are desirable so that the physical and electrical properties of the Martian surface dust can be characterized. Sojourner was protected by discharge points, and Faraday cages were placed around sensitive electronics. But larger systems than Sojourner are being contemplated for missions to the Martian surface in the foreseeable future. The design of such systems will require a detailed knowledge of how they will interact with their environment. Validated environmental interaction models and guidelines for the Martian surface must be developed so that design engineers can test new ideas prior to cutting hardware. These models and guidelines cannot be validated without actual flighata. Electrical charging of vehicles and, one day, astronauts moving across the Martian surface may have moderate to severe consequences if large potential differences develop. The observations from Sojourner point to just such a possibility. It is desirable to quantify these results. The various lander/rover missions being planned for the upcoming decade provide the means for doing so. They should, therefore, carry instruments that will not only measure vehicle charging but characterize all the natural and induced electrical phenomena occurring in the environment and assess their impact on future missions.

Kolecki, Joseph C.↗

Design principles of heterointerfacial redox chemistry for highly reversible lithium metal anode

High electrochemical reversibility is required for the application of high-energy-density lithium (Li) metal batteries; however, inactive Li formation and SEI (solid electrolyte interface)-instability-induced electrolyte consumption cause low Coulombic efficiency (CE). The prior interfacial chemical designs in terms of alloying kinetics have been used to enhance the CE of Li metal anode; however, the role of its redox chemistry at heterointerfaces remains a mystery. Herein, the relationship between heterointerfacial redox chemistry and electrochemical transformation reversibility is investigated. It is demonstrated that the lower redox potential at heterointerface contributes to higher CE, and this enhancement in CE is primarily due to the regulation of redox chemistry to Li deposition behavior rather than the formation of SEI films. Low oxidation potential facilitates the formation of the surface with the highly electrochemical binding feature after Li stripping, and low reduction potential can maintain binding ability well during subsequent Li plating, both of which homogenize Li deposition and thus optimize CE. In particular, Mg hetero-metal with ultra-low redox potential enables Li metal anode with significantly improved CE (99.6%) and stable cycle life for 700 cycles at 3.0 mA cm -2 . This work provides insight into the heterointerfacial design principle of next-generation negative electrodes for highly reversible metal batteries.

25 ENERGY STORAGE↗

Regulating electrodeposition morphology of lithium: towards commercially relevant secondary Li metal batteries

Lithium, the lightest and most electronegative metallic element, has long been considered the ultimate choice as a battery anode for mobile, as well as in some stationary applications. The high electronegativity of Li is, however, a double-edged sword—it facilitates a large operating voltage when paired with essentially any cathode, promising a high cell-level energy density. It is also synonymous with a high chemical reactivity and low reduction potential. The interfaces a Li metal anode forms with any other material (liquid or solid) in an electrochemical cell are therefore always mediated by one or more products of its chemical or electrochemical reactions with that material. The physical, crystallographic, mechanical, electrochemical, and transport properties of the resultant new material phases (interphases) regulate all interfacial processes at a Li metal anode, including electrodeposition during battery recharge. This Review takes recent efforts aimed at manipulating the structure, composition, and physical properties of the solid electrolyte interphase (SEI) formed on an Li anode as a point of departure to discuss the structural, electrokinetic, and electrochemical requirements for achieving high anode reversibility. An important conclusion is that while recent reports showing significant advances in the achievement of highly reversible Li anodes, e.g. as measured by the coulombic efficiency (CE), raise prospects for as significant progress towards commercially relevant Li metal batteries, the plateauing of achievable CE values to around 99 ± 0.5% apparent from a comprehensive analysis of the literature is problematic because CE values of at least 99.7%, and preferably >99.9% are required for Li metal cells to live up to the potential for higher energy density batteries offered by the Li metal anode. On this basis, we discuss promising approaches for creating purpose-built interphases on Li, as well as for fabricating advanced Li electrode architectures for regulating Li electrodeposition morphology and crystallinity. Considering the large number of physical and chemical factors involved in achieving fine control of Li electrodeposition, we believe that achievement of the remaining ~0.5% in anode reversibility will require fresh approaches, perhaps borrowed from other fields. We offer perspectives on both current and new strategies for achieving such Li anodes with the specific aim of engaging established contributors and newcomers to the field in the search for scalable solutions.

25 ENERGY STORAGE↗

Pushing Lithium–Sulfur Batteries towards Practical Working Conditions through a Cathode–Electrolyte Synergy

Abstract The commercialization of lithium–sulfur (Li−S) batteries is still hindered by the unsatisfactory cell performance under practical working conditions, which is mainly caused by the sluggish cathode redox kinetics, severe polysulfide shuttling, and poor Li stripping/plating reversibility. Herein, we report an effective strategy by combining Se‐doped S hosted in an ordered macroporous framework with a highly fluorinated ether (HFE)‐based electrolyte to simultaneously address the aforementioned issues in both cathode and anode. A reversible and stable high areal capacity of >5.4 mAh cm −2 with high Coulombic efficiency >99.2 % can be achieved under high areal Se/S loading (5.8 mg cm −2 ), while the underlying mechanism was further revealed through synchrotron X‐ray probes and Time‐of‐Flight Secondary Ion Mass Spectrometry (ToF‐SIMS). The practical application potential was further evaluated at low (0 °C) and high (55 °C) temperatures under high areal Se/S loading (>5.0 mg cm −2 ) and thin Li metal (40 μm).

Zhao, Chen↗

Computational prediction of the effect of amino acid changes on the binding affinity between SARS-CoV-2 spike RBD and human ACE2

The association of the receptor binding domain (RBD) of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) spike protein with human angiotensin-converting enzyme 2 (hACE2) represents the first required step for cellular entry. SARS-CoV-2 has continued to evolve with the emergence of several novel variants, and amino acid changes in the RBD have been implicated with increased fitness and potential for immune evasion. Reliably predicting the effect of amino acid changes on the ability of the RBD to interact more strongly with the hACE2 can help assess the implications for public health and the potential for spillover and adaptation into other animals. Here, we introduce a two-step framework that first relies on 48 independent 4-ns molecular dynamics (MD) trajectories of RBD-hACE2 variants to collect binding energy terms decomposed into Coulombic, covalent, van der Waals, lipophilic, generalized Born solvation, hydrogen bonding, π-π packing, and self-contact correction terms. The second step implements a neural network to classify and quantitatively predict binding affinity changes using the decomposed energy terms as descriptors. The computational base achieves a validation accuracy of 82.8% for classifying single–amino acid substitution variants of the RBD as worsening or improving binding affinity for hACE2 and a correlation coefficient of 0.73 between predicted and experimentally calculated changes in binding affinities. Both metrics are calculated using a fivefold cross-validation test. Our method thus sets up a framework for screening binding affinity changes caused by unknown single– and multiple–amino acid changes offering a valuable tool to predict host adaptation of SARS-CoV-2 variants toward tighter hACE2 binding.

60 APPLIED LIFE SCIENCES↗

Superconductivity at carrier density 10 17 cm – 3 in quasi-one-dimensional Li 0.9 Mo 6 O 17

Superconductivity is a fascinating phenomenon that involves an attractive interaction by which electrons are paired and can move without electrical resistance below a critical temperature T c . A paradigm for understanding superconductive pairing, the successful “BCS” theory, developed more than 65 years ago, is challenged by certain classes of materials for which parameters (e.g. the value of T c , the density of electrons, etc.) fall outside the range for which BCS theory is applicable. The study of such materials is important because new physics may be revealed and because superconductivity has many potential applications in sensing and electronics. Superconductivity at very low carrier density is a rare and fascinating phenomenon that is of considerable importance and interest in condensed matter physics. The conditions of high density of states and effective screening of Coulomb repulsion, both key ingredients of stable Cooper pairing in the BCS theory, may not be met at low carrier density. Thus, such systems may also harbor unconventional electron pairing (e.g. non-phononic) or pairing without phase coherence as a precursor to Bose-Einstein condensation. An intriguing route toward extreme low-density (and possibly unconventional) superconductivity may be found in quasi-one-dimensional metals for which density-wave instabilities compete for the ground state and can lead to gapping of substantial portions of the Fermi surface (FS), leaving a residual (reconstructed) FS comprising a very small carrier density. Our work highlights a novel material in this unusual category: Li 0.9 Mo 6 O 17 (T c =2 K) (also known as "lithium purple bronze" or "LiPB"). We present both electrical and thermoelectric magnetotransport measurements that reveal superconductivity to occur at carrier density 2 x10 17 cm -3 , among the lowest known for any superconductor, and four orders of magnitude lower than is expected from its chemical valence and band structure. With its exceptionally large ratio of superconducting to Fermi temperature, T c /TF ≳ 0.1, LiPB is properly placed at the top of a very small group of superconductors (including cuprates, heavy-fermion and Fe-based superconductors) for which this ratio falls in the BCS-BEC crossover regime and for which pairing is believed to be spin mediated.

36 MATERIALS SCIENCE↗

Al Substitution for Mn during Co-Precipitation Boosts the Electrochemical Performance of LiNi 0.8 Mn 0.1 Co 0.1 O 2

We report nickel-rich layered oxides, such as LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC 811), are considered as one of the most promising candidates for the next-generation cathode because of their high energy densities and relatively low cost. However, the poor first Coulombic efficiency of NMC 811 leads to around a 15% capacity loss in the first cycle at a cut-off voltage of 4.4 V. Moreover, the structure degradation during cycling results in capacity fading and safety concerns, due to potential oxygen loss after charging. Here, with aluminum substitution for manganese through a developed continuous co-precipitation approach, the electrochemical performance of NMC 811 cathodes has been greatly enhanced. Among different Al% substituted samples, LiNi 0.8 Mn 0.06 Co 0.1 Al 0.04 O 2 cathodes reduced by 50% the first capacity loss of pristine NMC 811(18.0 vs 35.9 mAh g -1 ) and improved the capacity retention from 81.4 to 96.4% after 60 cycles at 0.5C in the voltage range of 2.8–4.4 V.

25 ENERGY STORAGE↗

Unraveling Site Selective Magnetic Properties of Cobalt Sites in Critical Elements Lean RE(TM)5 Magnet Materials

We report here our discovery of crystallographic and interstitial sites and onsite electron correlation propelled intrinsic and derived permanent magnetic properties of critical elements lean RE(TM) 5 (RE = La, Ce and TM = Fe, Co) magnet materials. A full potential linearized augmented plane wave (FP-LAPW) method within the local density approximation (LDA) is used to investigate and analyze the electronic structure and magnetism of these RE(TM) 5 type structures. To better correlate the experimental results, the effective Coulomb (U) and exchange (J) interactions (Hubbard parameters) are crucial at the transition metal sites. Results show that the main propeller of magnetic anisotropy in these compounds is the cobalt atoms at the 2c sites not the 3g sites. This site-specific property and site preference energetics are used to replace 3g sites with non-critical elements such as iron that exhibits a larger magnetic moment. Based on this strategic replacement, we predict two new compounds that have a larger hardness parameter with a relatively large energy product due to the atomic dilution caused by interstitial addition of nitrogen in the compounds: CeCo 2 Fe 3 N 2 and LaCo 2 Fe 3 N 2 .

Rare-earths↗

Long-term cyclability of Li 4 Ti 5 O 12 /LiMn 2 O 4 cells using carbonate-based electrolytes for behind-the-meter storage applications

Li 4 Ti 5 O 12 /LiMn 2 O 4 (LTO/LMO) chemistry was evaluated as a potential candidate for behind-the-meter storage (BTMS) applications. Its long-term cycle performance at 45 °C was tested using ethylene carbonate (EC) and propylene carbonate (PC) solvent electrolytes. Over 1000 cycles, LTO/LMO cells exhibited ~80% capacity retention and Coulombic efficiency higher than 99.96%. Electrochemical test results showed the major degradation mode of LTO/LMO cells arises from continuous electrolyte decomposition at the LTO anode and loss of Li inventory. EC and PC electrolytes created distinct surface layers, where the EC reduction products were more effective in passivating the LTO electrode surface. Dissolution and migration of Mn from the cathode was probed as Mn 2+ species distributed throughout the surface layer at the anode. By utilizing a prelithiated LTO electrode, the LTO/LMO cell performance was significantly enhanced with EC electrolyte. On the other hand, PC electrolyte resulted in accelerated electrolyte decomposition at the lithiated LTO surface due to the lack of surface passivation. Thus, mitigating parasitic reactions at the LTO electrode is the key to developing successful LTO/LMO cells.

25 ENERGY STORAGE↗

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↗

Multiferroicity and Topology in Twisted Transition Metal Dichalcogenides

Van der Waals heterostructures have recently emerged as an exciting platform for investigating the effects of strong electronic correlations, including various forms of magnetic or electrical orders. Here, we perform an unbiased exact diagonalization study of the effects of interactions on topological flat bands of twisted transition metal dichalcogenides (TMDs) at odd integer fillings. For hole-filling ν h = 1 , we find that the Chern insulator phase, expected from interaction-induced spin-valley polarization of the bare bands, is quite fragile, and gives way to spontaneous multiferroic order—coexisting ferroelectricity and ferromagnetism, in the presence of long-range Coulomb repulsion. We provide a simple real-space picture to understand the phase diagram as a function of interaction range and strength. Our findings establish twisted TMDs as a novel and highly tunable platform for multiferroicity, and we outline a potential route towards electrical control of magnetism in the multiferroic phase. Published by the American Physical Society 2024

Abouelkomsan, Ahmed (ORCID:0000000247873357)↗