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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Twisted symmetric trilayer graphene: Single-particle and many-body Hamiltonians and hidden nonlocal symmetries of trilayer moiré systems with and without displacement field

Here, we derive the Hamiltonian for trilayer moiré systems with the Coulomb interaction projected onto the bands near the charge neutrality point. Motivated by the latest experimental results, we focus on the twisted symmetric trilayer graphene (TSTG) with a mirror symmetry with respect to the middle layer. We provide a full symmetry analysis of the noninteracting Hamiltonian with a perpendicular displacement field coupling the band structure made otherwise of the twisted bilayer graphene (TBG) and the high-velocity Dirac fermions, and we identify a hidden nonlocal symmetry of the problem. In the presence of this displacement field, we construct an approximate single-particle model, akin to the tripod model for TBG, capturing the essence of noninteracting TSTG. We also derive more quantitative perturbation schemes for the low-energy physics of TSTG with displacement field, obtaining the corresponding eigenstates. This allows us to obtain the Coulomb interaction Hamiltonian projected in the active band TSTG wave functions and derive the full many-body Hamiltonian of the system. We also provide an efficient parametrization of the interacting Hamiltonian. Finally, we show that the discrete symmetries at the single-particle level promote the U (2) × U (2) spin-valley symmetry to enlarged symmetry groups of the interacting problem under different limits. The interacting part of the Hamiltonian exhibits a large U (4) × U (4) × U (4) × U (4) symmetry in the chiral limit. Moreover, by identifying a symmetry which we dub spatial many-body charge conjugation, we show that the physics of TSTG is symmetric around charge neutrality.

2-dimensional systems↗
DOE OSTI2023

Theoretical Advances in Polariton Chemistry and Molecular Cavity Quantum Electrodynamics

When molecules are coupled to an optical cavity, new light–matter hybrid states, so-called polaritons, are formed due to quantum light–matter interactions. With the experimental demonstrations of modifying chemical reactivities by forming polaritons under strong light–matter interactions, theorists have been encouraged to develop new methods to simulate these systems and discover new strategies to tune and control reactions. This review summarizes some of these exciting theoretical advances in polariton chemistry, in methods ranging from the fundamental framework to computational techniques and applications spanning from photochemistry to vibrational strong coupling. Even though the theory of quantum light–matter interactions goes back to the midtwentieth century, the gaps in the knowledge of molecular quantum electrodynamics (QED) have only recently been filled. We review recent advances made in resolving gauge ambiguities, the correct form of different QED Hamiltonians under different gauges, and their connections to various quantum optics models. Then, we review recently developed ab initio QED approaches which can accurately describe polariton states in a realistic molecule–cavity hybrid system. We then discuss applications using these method advancements. We review advancements in polariton photochemistry where the cavity is made resonant to electronic transitions to control molecular nonadiabatic excited state dynamics and enable new photochemical reactivities. When the cavity resonance is tuned to the molecular vibrations instead, ground-state chemical reaction modifications have been demonstrated experimentally, though its mechanistic principle remains unclear. We present some recent theoretical progress in resolving this mystery. Finally, we review the recent advances in understanding the collective coupling regime between light and matter, where many molecules can collectively couple to a single cavity mode or many cavity modes. We also lay out the current challenges in theory to explain the observed experimental results. We hope that this review will serve as a useful document for anyone who wants to become familiar with the context of polariton chemistry and molecular cavity QED and thus significantly benefit the entire community.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Polymorphous nature of cubic halide perovskites

Many common crystal structures can be described by a single (or very few) repeated structural motif (“monomorphous structures”) such as octahedron in cubic halide perovskites. Interestingly, recent accumulated evidence suggests that electronic structure calculations based on such macroscopically averaged monomorphous cubic ($\textit{Pm} – 3m$) halide perovskites obtained from x-ray diffraction, show intriguing deviations from experiment. These include systematically too small band gaps, dielectric constants dominated by the electronic, negative mixing enthalpy of alloys, and significant deviations from the measured pair distribution function. We show here that a minimization of the systems $\textit{T}$ = 0 internal energy via density functional theory reveals a distribution of different low-symmetry local motifs, including tilting, rotations, and B-atom displacements (“polymorphous networks”). This is found only if one allows for larger-than-minimal cell size that does not geometrically exclude low symmetry motifs. As the (super) cell size increases, the energy is lowered relative to the monomorphous cell, and stabilizes after ~32 formula units (≥160 atoms) are included. Being a result of nonthermal energy minimization in the internal energy without entropy, this correlated set of displacements must represent the intrinsic geometry preferred by the underlying chemical bonding (lone pair bonding), and as such has a different origin than the normal, dynamic thermal disorder modeled by molecular dynamics. Indeed, the polymorphous network, not the monomorphous ansatz, is the kernel structure from which high temperature thermal agitation develops. The emerging physical picture is that the polymorphous network has an average structure with high symmetry, yet the local structural motifs have low symmetries. In this work we find that, compared with monomorphous counterparts, the polymorphous networks have significantly lower predicted total energies, larger band gaps, and ionic dominated dielectric constants, and agree much more closely with the observed pair distribution functions. An analogous polymorphous situation is found in the paraelectric phase of a few cubic oxide perovskites where local polarization takes the role of local displacements in halide perovskites, and in the paramagnetic phases of a few 3 d oxides where the local spin configuration takes that role.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

PIXE – State of the Art, Systems, Challenges

Particle-induced X-ray emission (PIXE) is an analytical technique for elemental analysis in which a charged-particle beam (most commonly protons, but also alpha particles or heavier ions) ionizes inner-shell electrons in target atoms. When these vacancies are filled by outer-shell electrons, the atom emits characteristic X-rays (e.g., Kα, Kβ, L-series) whose energies are unique to each element. Measuring the X-ray spectrum therefore enables identification of the elements present and, with appropriate calibration and modeling, their concentration. PIXE provides rapid, simultaneous, quantitative multi-element detection with trace-level sensitivity for many mid- to high-Z elements, often with minimal sample preparation. It is widely used across materials science (thin films, alloys, corrosion), geology (mineral chemistry, provenance) and environmental monitoring (aerosols, particulates, soils); semiconductor contamination analysis (wafer surface/trace metals), cultural heritage (pigments, inks, archaeological artifacts) and forensics (gunshot residue, glass/pain), and biological/medical studies (tissue/biomaterial trace-element mapping).

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

The many-body expansion for aqueous systems revisited: 1. Water-water interactions

We revisit the Many-Body Expansion (MBE) for water-water interactions by examining the effects of the basis set, including those resulting from the Basis Set Superposition Error (BSSE) correction, on the various terms for selected sizes of water clusters up to n = 21. The analysis is performed at the second order Møller-Plesset (MP2) perturbation theory with the family of augmented correlation consistent basis sets up to five zeta quality for the (H2O)n, n = 7, 10, 13, 16 and 21 clusters, for which we report either the complete MBE (n = 7, 10) or the one through the 6-body (n = 13) and the 5-body terms (n = 16, 21). Our results suggest that any sizeable contributions to the total cluster binding energy arising from the 5-body and larger terms are solely an artifact of the size of the basis set. Indeed, all terms above the 4-body converge monotonically to practically zero at the Complete Basis Set (CBS) limit. The magnitudes of the 5-body and above terms are accurately reproduced even with the smaller basis set of the series (aug-cc-pVDZ) once the BSSE correction is taken into account. The same level of theory (MP2/aug-cc-pVDZ, BSSEcorrected) also accurately reproduces the MP2/CBS values of the 3- and 4-body terms. The contribution of electron correlation to the 3- and 4-body terms is quite small, so that neglecting the correlation contribution in all terms above the 3-body results in an error of ??(0.1%). The BSSE correction to the largest 2-body term in the MBE was accurately estimated from the function ?? [1 + erf(-?? ??)], which is proportional to the common (overlapping) area between two Gaussian distributions whose centers are separated by R, with the constants ??, ?? fitted to the calculated BSSE corrections for the individual 2-body terms of the clusters with each basis set. Our results unquestionably demonstrate that the MBE for water-water interactions converges to the 4-body term, since any finite terms above the 4-body are artifacts of the size of the basis set and can be safely truncated at the 4-body term when either a very large basis set is used or BSSE corrections are taken into account even with the aug-cc-pVDZ basis set. We expect these findings to have important consequences in the pursuit of accurate many-body molecular dynamics simulations for aqueous systems.

Heindel, Joseph↗
DOE OSTI2024

Witnessing Entanglement and Quantum Correlations in Condensed Matter: A Review

The detection and certification of entanglement and quantum correlations in materials is of fundamental and far-reaching importance, and has seen significant recent progress. It impacts both the understanding of the basic science of quantum many-body phenomena as well as the identification of systems suitable for novel technologies. Frameworks suitable to condensed matter that connect measurements to entanglement and coherence have been developed in the context of quantum information theory. These take the form of entanglement witnesses and quantum correlation measures. Here, the underlying theory of these quantities, their relation to condensed matter experimental techniques, and their application to real materials are comprehensively reviewed. In addition, their usage in, e.g., protocols, the relative advantages and disadvantages of witnesses and measures, and future prospects in, e.g., correlated electrons, entanglement dynamics, and entangled spectroscopic probes, are presented. Consideration is given to the interdisciplinary nature of this emerging research and substantial ongoing progress by providing an accessible and practical treatment from fundamentals to application. Particular emphasis is placed on quantities accessible to collective measurements, including by susceptibility and spectroscopic techniques. This includes the magnetic susceptibility witness, one-tangle, concurrence and two-tangle, two-site quantum discord, and quantum coherence measures such as the quantum Fisher information.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Multioutput Convolutional Neural Network for Improved Parameter Extraction in Time-Resolved Electrostatic Force Microscopy Data

Time-resolved scanning probe microscopy methods, like time-resolved electrostatic force microscopy (trEFM), enable imaging of dynamic processes ranging from ion motion in batteries to electronic dynamics in microstructured thin film semiconductors for solar cells. Reconstructing the underlying physical dynamics from these techniques can be challenging due to the interplay of cantilever physics with the actual transient kinetics of interest in the resulting signal. Previously, quantitative trEFM used empirical calibration of the cantilever or feed-forward neural networks trained on simulated data to extract the physical dynamics of interest. Both these approaches are limited by interpreting the underlying signal as a single exponential function, which serves as an approximation but does not adequately reflect many realistic systems. Here, we present a multi-branched, multi-output convolutional neural network (CNN) that uses the trEFM signal in addition to the physical cantilever parameters as input. The trained CNN accurately extracts parameters describing both single-exponential and bi-exponential underlying functions, and more accurately reconstructs real experimental data in the presence of noise. This article demonstrates an application of physics-informed machine learning to complex signal processing tasks, enabling more efficient and accurate analysis of trEFM.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Evolution of dislocation substructures in metals via high-strain-rate nanoindentation

Deformation at high strain rates often results in high stresses on many engineering materials, potentially leading to catastrophic failure without proper design. High-strain-rate mechanical testing is thus needed to improve the design of future structural materials for a wide range of applications. Although several high-strain-rate mechanical testing techniques have been developed to provide a fundamental understanding of material responses and microstructural evolution under high-strain-rate deformation conditions, these tests are often very time consuming and costly. In this work, we utilize a high-strain-rate nanoindentation testing technique and system in combination with transmission electron microscopy to reveal the deformation mechanisms and dislocation substructures that evolve in pure metals from low (10 –2 s –1 ) to very high indentation strain rates (10 4 s –1 ), using face-centered cubic aluminum and body-centered cubic molybdenum as model materials. The results help to establish the conditions under which micro- and macro-scale tests can be compared with validity and also provide a promising pathway that could lead to accelerated high-strain-rate testing at substantially reduced costs.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Aerotaxy: gas-phase epitaxy of quasi 1D nanostructures

Cost- and resource-efficient growth is necessary for many applications of semiconductor nanowires. We here present the design, operational details and theory behind Aerotaxy, a scalable alternative technology for producing quality crystalline nanowires at a remarkably high growth rate and throughput. Using size-controlled Au seed particles and organometallic precursors, Aerotaxy can produce nanowires with perfect crystallinity and controllable dimensions, and the method is suitable to meet industrial production requirements. Here, we explain why Aerotaxy is an efficient method for fabricating semiconductor nanowires and explain the technical aspects of our custom-built Aerotaxy system. Investigations using SEM (Scanning Electron Microscope), TEM (Transmission Electron Microscope)and other characterization methods are used to support the claim that Aerotaxy is indeed a scalable method capable of producing nanowires with reproducible properties. We have investigated both binary and ternary III–V semiconductor material systems like GaAs and GaAsP. In addition, common aspects of Aerotaxy nanowires deduced from experimental observations are used to validate the Aerotaxy growth model, based on a computational flow dynamics (CFD) approach. We compare the experimental results with the model behaviour to better understand Aerotaxy growth.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

A Compact, Single Stage, >1 kV Medium-Voltage Line Impedance Stabilization Network

This paper presents the design of a single-phase, single-stage line impedance stabilization network (LISN) for medium-voltage (MV) applications. More than 1 kV rated widebandgap (WBG) power semiconductor switches are increasingly utilized in new, emerging power electronics energy systems to improve power density and efficiency. However, due to inherently fast-switching speeds, WBG switch modules emit considerable electromagnetic interference (EMI) (e.g., common mode (CM) or differential mode (DM)). State-of-the-art offers standardized LISN solutions to validate and certify the new energy system for electromagnetic compatibility (EMC). However, most are for low voltage applications (i.e., < 1 kV). MV LISNs (i.e., > 1 kV) are rare until recently and literature does not provide sufficient guidelines for designing and characterizing such devices. It has been a critical challenge for many scientists and engineers to reliably certify the emerging MV energy systems (e.g., electric ships and aircraft). This paper addresses such a technology gap. Specifically, a CISPR 16-1-2 compliant 50Ω/50μH LISN with 1.5kV, 75A and 30MHz measurement capability has been proposed. Detailed performance study versus non-linear parasitic parameters variations in MV inductors and capacitors have been done. Based on new understandings, novel techniques to intuitively mitigate unwanted parasitic have been proposed to develop the proposed LISN successfully. Thorough characterization of important LISN parameters are presented and factors influencing them are analyzed. A rigorous analysis, experimental tests, and in-depth comparisons over state-of-the-art have been made to validate the effectiveness. This is done through the state-of-the-art 300kVA MV EMI testbed.

42 ENGINEERING↗
DOE OSTI2025

Good plasmons in a bad metal

Correlated metals may exhibit unusually high resistivity that increases linearly in temperature, breaking through the Mott-Ioffe-Regel bound, above which coherent quasiparticles are destroyed. The fate of collective charge excitations, or plasmons, in these systems is a subject of debate. Several studies have suggested that plasmons are overdamped, whereas other studies have detected propagating plasmons. Here, in this work, we present direct nano-optical images of low-loss hyperbolic plasmon polaritons (HPPs) in the correlated van der Waals metal MoOCl 2 . HPPs are plasmon-photon modes that waveguide through extremely anisotropic media and are remarkably long-lived in MoOCl 2 . Photoemission data presented here reveal a highly anisotropic Fermi surface, reconstructed and made partly incoherent, likely through electronic interactions as explained by many-body theory. HPPs remain long-lived despite this, revealing previously unseen imprints of many-body effects on plasmonic collective modes.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Optimized low-depth quantum circuits for molecular electronic structure using a separable-pair approximation

We present a classically tractable model that leads to optimized low-depth quantum circuits leveraging separable-pair approximations. The obtained circuits are well suited as a baseline circuit for emerging quantum hardware and can, in the long term, provide significantly improved initial states for quantum algorithms. The associated wave functions can be represented with linear memory requirement, which allows classical optimization of the circuits and naturally defines a minimum benchmark for quantum algorithms. In this work we employ directly determined pair-natural orbitals within a basis-set-free approach. This leads to accurate representation of the one- and many-body parts for weakly correlated systems and we explicitly illustrate how the model can be integrated into other quantum algorithms for stronger correlated systems.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

The future of computing beyond Moore’s Law

Moore’s Law is a techno-economic model that has enabled the information technology industry to double the performance and functionality of digital electronics roughly every 2 years within a fixed cost, power and area. Advances in silicon lithography have enabled this exponential miniaturization of electronics, but, as transistors reach atomic scale and fabrication costs continue to rise, the classical technological driver that has underpinned Moore’s Law for 50 years is failing and is anticipated to flatten by 2025. Here, this article provides an updated view of what a post-exascale system will look like and the challenges ahead, based on our most recent understanding of technology roadmaps. It also discusses the tapering of historical improvements, and how it affects options available to continue scaling of successors to the first exascale machine. Lastly, this article covers the many different opportunities and strategies available to continue computing performance improvements in the absence of historical technology drivers. This article is part of a discussion meeting issue ‘Numerical algorithms for high-performance computational science’.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Out-of-equilibrium Majorana zero modes in interacting Kitaev chains

Here, we employ a time-dependent real-space local density-of-states method to study the movement and fusion of Majorana zero modes in the one-dimensional interacting Kitaev model, based on the time evolution of many-body states. We analyze the dynamics and both fusion channels of Majoranas using time-dependent potentials, either creating walls or wells. For fast moving Majoranas, we unveil nonequilibrium signatures of the “strong-zero-mode” operator (quasiparity degeneracy in the full spectrum) and its breakdown in the presence of repulsive Coulomb interactions. Focusing on forming a full electron after fusion, we also discuss the upper and lower limits on the Majorana speed needed to reduce nonadiabatic effects and to avoid poisoning due to decoherence.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

New Dimensions in the Theory of Excited States and X-ray Spectra (Final Report)

This Final Technical Report briefly summarizes the achievements during the lifetime of our DOE BES grant DE-FG02-97ER45623. The long-term goal of this project has been the development of quantitative theories of the interaction between radiation and matter, with a focus on x-ray spectroscopies. X-ray spectra have long been among the most important probes of atomic-scale structure and properties of matter, ranging from atoms and molecular systems to condensed matter and exotic states. These spectroscopies are widely used in investigations at the major DOE synchrotron x-ray facilities and related centers world-wide. In addition to fundamental theory, a major goal of our project has been the development of computational software that implements the theory for calculations of x-ray spectra of various materials throughout the periodic table. Due to the complex nature of x-ray spectra, quantitative theory is essential for its interpretation. The theory is challenging since it involves excited state electronic structure and many-body correlation effects that go beyond independent particle approximations like DFT or Hartree-Fock. Moreover, the experimental investigations typically involve a broad range of energy, time, and temperature scales, from the UV-Vis to hard x-ray energies of order 10 4 eV, and temperatures T from ambient up to the warm-dense-matter regime where the Fermi energy kBTF is of order a few eV, i.e., temperatures of order 105 Kelvin. This broad range of experimental conditions has fostered many novel theoretical approaches and computational techniques, many of which we have developed systematically over the duration of the grant. In contrast to the traditional wave-function approach of quantum theory and electronic structure methods, our theoretical approach is based on modern Green's function techniques. This approach is better suited for aperiodic structures, excited states, and broad spectral ranges, since it avoids the computational bottlenecks of sum-over-states approaches, as in the Fermi golden rule. This theoretical framework has been incorporated into efficient, user-friendly x-ray spectroscopy software which is now used routinely worldwide to simulate and analyze spectra. These theoretical tools provide an essential complement to synchrotron and next-generation light sources, which are used to investigate complex materials with ever increasing precision. Moreover, the synergism between theory, computation and experiment contributed by our research enhances scientific understanding and creates opportunities for innovations in materials and energy science and in many fields. As documented in this Report, this research grant has been remarkably successful in achieving these goals. In particular, this grant has supported the development of the x-ray spectroscopy software suite known as FEFF (named for an effective scattering amplitude f eff in the theory). The FEFF codes have become one of the premier tools for quantitative simulations of x-ray spectra as documented by many thousands of citations in the Web of Science and Google-Scholar.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Interplay between magnetism and band topology in the kagome magnets R Mn 6 Sn 6

Kagome-lattice magnets R Mn 6 Sn 6 recently emerged as a new platform to exploit the interplay between magnetism and topological electronic states. Some of the most exciting features of this family are the dramatic dependence of the easy magnetization direction on the rare-earth specie, despite other magnetic and electronic properties being essentially unchanged, and the kagome geometry of the Mn planes that in principle can generate flat bands and Dirac points; gapping of the Dirac points by spin-orbit coupling has been suggested recently to be responsible for the observed anomalous Hall response in the member TbMn 6 Sn 6 . In this paper, we address both issues with ab initio calculations. We have discovered the significant role played by higher-order crystal-field parameters and rare-earth magnetic anisotropy constants in these systems. Further, we demonstrate that the microscopic origin of rare-earth magnetic anisotropy can also be quantified and understood at various levels: ab initio, phenomenological, and analytical. In particular, using a simple and physically transparent analytical model based on perturbation theory, we are able to explain, with full quantitative agreement, the evolution of rare-earth magnetic anisotropy across the series. We analyze in detail the topological properties of Mn-dominated bands and demonstrate how they emerge from the multiorbital planar kagome model. We further show that, despite this fact, most of the topological features at the Brillouin zone corner K are strongly 3D and therefore cannot explain the observed quasi-2D anomalous Hall effect, while the most pronounced quasi-2D dispersion are too far removed from the Fermi level. By employing self-consistent calculations with ab initio many-body approaches, we demonstrate that the exchange-correlation effects beyond the density functional theory for itinerant Mn- d electrons do not significantly alter the obtained electronic and magnetic structure. Therefore, we conclude that, contrary to previous claims, the most pronounced 2D kagome-derived topological band features bear little relevance to transport in RMn 6 Sn 6 , albeit they may possibly be brought to focus by electron or hole doping.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Dichotomy of flat bands in the van der Waals ferromagnet Fe 5 ⁢GeTe 2

Quantum materials with bands of narrow bandwidth near the Fermi level represent a promising platform for exploring a diverse range of fascinating physical phenomena, as the high density of states within the small energy window often enables the emergence of many-body physics. On one hand, flat bands can arise from strong Coulomb interactions that localize atomic orbitals. On the other hand, quantum destructive interference can quench the electronic kinetic energy. Although both have a narrow bandwidth, the two types of flat bands should exhibit very distinct spectral properties arising from their distinctive origins. So far, the two types of flat bands have only been realized in very different material settings and chemical environments, preventing a direct comparison. Here, in this study, we report the observation of the two types of flat bands within the same material system—an above-room-temperature van der Waals ferromagnet, Fe 5−x GeTe 2 , distinguishable by a switchable iron site order. The contrasting nature of the flat bands is also identified by the remarkably distinctive temperature evolution of the spectral features, indicating that one arises from electron correlations in the Fe(1) site-disordered phase, while the other geometrical frustration in the Fe(1) site-ordered phase. Our results therefore provide a direct juxtaposition of the distinct formation mechanism of flat bands in quantum materials and an avenue for understanding the distinctive roles flat bands play in the presence of magnetism, topology, and lattice geometrical frustration, utilizing sublattice ordering as a key control parameter.

Wu, Han [Rice Univ., Houston, TX (United States)] ↗
DOE OSTI2021

Polymers in Lithium‐Ion and Lithium Metal Batteries

Abstract Lithium‐ion batteries play a significant role in modern electronics and electric vehicles. However, current Li‐ion battery chemistries are unable to satisfy the increasingly heightened expectations regarding energy demand and reliability. To boost the overall energy density while ensuring the safety of Li batteries, researchers have focused on alternative battery materials, such as silicon, sulfur, and Li metal. These represent promising avenues, although numerous obstacles (e.g., Si cracking, polysulfide shuttling, Li dendrites, etc.) must be tackled before batteries based on these materials can enter mass production and penetrate the mainstream market. Polymers are a class of materials that are widely used in current battery systems; however, many novel polymer chemistries may offer better performance and reliability than the current ones, and even overcome the issues of the above‐mentioned new battery materials. In this review, selected polymeric materials for solving these issues are categorized into four parts: polymer electrolytes, polymer artificial solid‐electrolyte interphases, binders, and separators. Both the current progress and the characterization methods are included. Potential future directions of energy materials research are pointed out as well.

Li, Junheng↗