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At least 271 records · Page 15

Application of the Screened Hydrogenic Model to Light Atoms

The purpose of this work was to develop a Screened Hydrogenic Model (SHM) to accurately calculate the electron energies for light atoms and ions with up to ten electrons for atomic numbers up to 18. The total energy of an atom or ion was calculated with effective nuclear charges and screening parameters for each electron type (1s, 2s and 2p) within a specific electron configuration. Multiple energy states, centered at the total energy, were calculated for elec-tron configurations that have Russell Saunders coupling. The energy of each electron included its relativistic energy, EREL, but close overall agreement between the calculated and experimental energies of multi-electron configura-tions required that the one-electron expression for EREL be modified in a simple manner. In the present work, 98% of the 587 calculated energies for light atoms/ions have a relative error within ±0.1% of the corresponding experimental energies. The effective nuclear charges described in this work allow hydrogen-like wave functions to be defined for the electrons within a multi-electron configuration. The SHM, described in this work, is available for future calculations involving light atoms and ions.

36 MATERIALS SCIENCE↗

Collision-energy dependence of the Breit-Wheeler process in heavy-ion collisions and its application to nuclear charge radius measurements

The collision energy dependence of the cross section and the transverse momentum distribution of dielectrons from the Breit-Wheeler process in heavy-ion collisions are computed in the lowest-order QED and found to be sensitive to the nuclear charge distribution and the infrared divergence of the ultra-Lorentz-boosted Coulomb field. Within a given experimental kinematic acceptance, the cross section is found to increase while the pair transverse momentum ($\sqrt{\langle{p^2_T}\rangle}$) decreases with increasing beam energy. We demonstrate that the transverse-momentum component of Weizsäcker-Williams photons is due to the finite extent of the charge source and electric field component in the longitudinal direction. We further clarify the connection between the nuclear charge distribution and the kinematics of produced e + e - from the Breit-Wheeler process, and propose a criterion for the validity of the Breit-Wheeler process in relativistic heavy-ion collisions. Following this approach we demonstrate that the experimental measurements of the Breit-Wheeler process in ultrarelativistic heavy-ion collisions can be used to quantitatively constrain the nuclear charge radius. The extracted parameters show sensitivity to the impact parameter dependence, and can be used to study the initial-state and final-state effects in hadronic interactions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Dissipation-assisted steady-state entanglement engineering based on electron transfer models

Here, we propose a series of dissipation-assisted entanglement generation protocols that can be implemented on a trapped-ion quantum simulator. Our approach builds on the single-site molecular electron transfer (ET) model recently realized in experiment [So et al., Sci. Adv. 10, eads8011 (2024)]. This model leverages spin-dependent boson displacement and dissipation controlled by sympathetic cooling. We show that, when coupled to external degrees of freedom, the ET model can be used as a dissipative quantum control mechanism, enabling the precise tailoring of both spin and boson steady states of a target subsystem. We derive simplified analytical formalisms that offer intuitive insights into the dissipative dynamics. Using realistic interactions in a trapped-ion system, we develop a protocol for generating 𝑁-qubit and 𝑁-boson 𝑊 states. Additionally, we generalize this protocol to realize generic 𝑁-qubit Dicke states with tunable excitation numbers. Finally, we outline a realistic experimental setup to implement our schemes in the presence of noise sources.

chemical charge transfer↗

Negative Ion Formation in Complex Heavy Systems

The project’s primary objective is to gain a fundamental theoretical understanding of the near-threshold electron attachment mechanism in low energy electron elastic scattering from complex heavy systems through the calculation of integral and differential cross sections and extract reliable electron affinities (EAs). The complex angular momentum (CAM), also known as Regge-pole methodology wherein is fully embedded the crucial electron-electron correlations and the core polarization interaction, is used for the investigations. Regge trajectories allow us to probe electron attachment at the fundamental level near threshold, thereby uncovering new manifestations, including the mechanism of nanocatalysis, and determine reliable EAs. Low-energy electron elastic scattering total cross sections (TCSs) for the lanthanide and actinide atoms and the fullerene molecules are calculated. From the TCSs ground, metastable and excited states anionic binding energies (BEs) are extracted and compared with the available measured and/or calculated EAs. Significantly, our calculated ground state anionic BEs correspond to the theoretically challenging to calculate EAs and they are used to assess the reliability of existing EAs. Doubly charged negative ions of atoms and molecules are proposed as novel tunable catalysts and demonstrated in the oxidation of water into peroxide. Negatively charged fullerene molecules are used to catalyze water oxidation to peroxide and water synthesis from H 2 and O 2 as well. Violation of time-reversal and particle-hole symmetries in strongly correlated Fermi systems are reviewed with the collaboration involving the International Laboratory of Fermi Condensation.

74 ATOMIC AND MOLECULAR PHYSICS↗

Polyethylene Glycol Surface Modification and Polythiophene Side-Chain Chemistry: A Combined Strategy toward High-Capacity Lithium-Ion Battery Anodes

In the development of high-capacity lithium-ion batteries (LIBs), the combined optimization of active material interfaces and polymer binder chemistry plays a critical role in improving electrode performance and longevity. This work explores a dual design strategy incorporating polyethylene glycol (PEG) surface modification and carboxylated polythiophene side-chain tailoring to enhance the electrochemical behavior of magnetite (Fe 3 O 4 )-based anodes. PEG is employed to improve interfacial stability, while carboxylated polythiophene binders with varying alkyl side-chain lengths─poly[3-(potassium-4-butanoate)thiophene-2,5-diyl] (P3KBT), poly[3-(potassium-5-pentanoate)thiophene-2,5-diyl] (P3KPT), and poly[3-(potassium-6-hexanoate)thiophene-2,5-diyl] (P3KHT)─are used to modulate molecular interactions and ion transport. Among these three analogs, the PEG–Fe 3 O 4 –P3KHT electrode exhibits superior ion-transfer kinetics, the highest capacity retention, and the lowest charge-transfer resistance after extended cycling. Compared to their non-PEG analogs, PEG-coated electrodes demonstrate enhanced structural integrity and electrochemical behavior, emphasizing the synergistic effects of surface modification and side-chain chemistry. These findings highlight the importance of interfacial interactions and molecular design in achieving robust and high-performance composite anodes for next-generation LIBs.

Fe3O4↗

Precise $\textit{Q}$-value measurements of 112,113 Ag and 115 Cd with the Canadian Penning trap for evaluation of potential ultralow $\textit{Q}$-value $\textit{β}$ decays

Background: An ultralow $\textit{Q}$-value $\textit{β}$ decay can occur from a parent nuclide to an excited nuclear state in the daughter such that $Q_{\text{UL}}$ 1 keV. These decay processes are of interest for nuclear $\textit{β}$-decay theory and as potential candidates in neutrino mass determination experiments. To date, only one ultralow $\textit{Q}$-value $\textit{β}$ decay has been observed—that of 115 In with $Q_β$ = 147(10) eV. A number of other potential candidates exist, but improved mass measurements are necessary to determine if these decay channels are energetically allowed and, in fact, ultralow. Purpose: To perform precise $\textit{β}$-decay $\textit{Q}$-value measurements of 112,113 Ag and 115 Cd and to use them in combination with nuclear energy level data for the daughter isotopes 112,113 Cd and 115 In to determine if the potential ultralow $\textit{Q}$-value $\textit{β}$-decay branches of 112,113 Ag and 115 Cd are energetically allowed and 1 keV. Method: The Canadian Penning Trap at Argonne National Laboratory was used to measure the cyclotron frequency ratios of singly charged 112,113 Ag and 115 Cd ions with respect to their daughters 112,113 Cd and 115 In. From these measurements, the ground-state to ground-state $\textit{β}$-decay $\textit{Q}$ values were obtained. Results: The 112 Ag → 112 Cd, 113 Ag → 113 Cd, and 115 Cd → 115 In $\textit{β}$-decay $\textit{Q}$ values were measured to be $Q_β$( 112 Ag) = 3990.16(22) keV, $Q_β$( 113 Ag) = 2085.7(4.6) keV, and $Q_β$( 115 Cd) = 1451.36(34) keV. These results were compared to energies of excited states in 112 Cd at 3997.75(14) keV, 113 Cd at 2015.6(2.5) and 2080(10) keV, and 115 In at 1448.787(9) keV, resulting in precise $Q_{\text{UL}}$ values for the potential decay channels of –7.59(26) keV, 6(11) keV, and 2.57(34) keV, respectively. Conclusion: The potential ultralow $\textit{Q}$-value decays of 112 Ag and 115 Cd have been ruled out. 113 Ag is still a possible candidate until a more precise measurement of the 2080(10) keV, 1/2+ state of 113 Cd is available. In the course of this work we have found the ground state mass of 113 Ag reported in the 2020 Atomic Mass Evaluation [Wang et al., Chin. Phys. C 45, 030003 (2021)] to be lower than our measurement by 69(17) keV (a 4σ discrepancy).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Multiple-core-hole resonance spectroscopy with ultraintense X-ray pulses

Understanding the interaction of intense, femtosecond X-ray pulses with heavy atoms is crucial for gaining insights into the structure and dynamics of matter. One key aspect of nonlinear light–matter interaction was, so far, not studied systematically at free-electron lasers—its dependence on the photon energy. Here, we use resonant ion spectroscopy to map out the transient electronic structures occurring during the complex charge-up pathways of xenon. Massively hollow atoms featuring up to six simultaneous core holes determine the spectra at specific photon energies and charge states. We also illustrate how different X-ray pulse parameters, which are usually intertwined, can be partially disentangled. The extraction of resonance spectra is facilitated by the possibility of working with a constant number of photons per X-ray pulse at all photon energies and the fact that the ion yields become independent of the peak fluence beyond a saturation point. Our study lays the groundwork for spectroscopic investigations of transient atomic species in exotic, multiple-core-hole states that have not been explored previously.

74 ATOMIC AND MOLECULAR PHYSICS↗

Low quantum efficiency of μ-oxo iron bisporphyrin photocatalysts explained with femtosecond M-edge XANES

Bridged μ-oxo iron porphyrins serve as photocatalysts for oxidative organic transformations, but suffer from low photon-to-product efficiency. This low photochemical quantum yield is most commonly attributed to the short lifetime of a disproportionated TPPFe(II)/TPPFe(IV)=O state, but an alternate hypothesis suggests that the majority photoproduct is a catalytically inactive ligand-centered TPPFe(III)+/TPPFe(III)–O – ion pair. We use femtosecond optical and extreme ultraviolet (XUV) spectroscopy to investigate the early photodynamics of the μ-oxo iron bisporphyrin (TPPFe) 2 O and identify the primary loss mechanism. XUV spectroscopy probes 3p → 3d transitions, corresponding to M 2,3 -edge XANES spectra, and is a distinctive probe of the metal oxidation state. Excitation of the mixed π–π*/ligand-to-metal charge transfer (LMCT) band results in the formation of an iron(II)/iron(III) LMCT state in tens of femtoseconds. This state decays on a subpicosecond timescale to the ligand-centred iron(III) ion pair state, and no TPPFe(IV)=O species is observed within the sensitivity of the measurement. Finally, the lack of an iron(II)/iron(IV) XANES spectrum suggests that preferential formation of the inactive iron(III) ion pair state is a main cause of the low quantum yield of this and similar bisporphyrins.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Turn-On Conductivity with Proton-Coupled Electron Transport in Metal–Organic Frameworks

Proton-coupled electron transfer (PCET) has been studied for decades in the context of molecular reactivity, but its impact on long-range electron transport is barely understood. When defined broadly as ion-coupled charge transport (ICCT), relevant systems include lithium-ion battery electrodes, electrochromic coatings, and myriad electrocatalysts. Despite ample evidence that ion-electron coupling enhances or diminishes the performance of these devices, little is known about the experimental signatures of ICCT and the microscopic factors that govern its mechanism. Here, we expect that ion-electron coupling becomes especially relevant in high surface area materials, such as the layered electrodes of intercalation batteries, due to the close proximity of itinerant electrons and electrolyte. Here, we report an electrochemical investigation into a family of metal-organic frameworks (MOFs) that serves as a well-defined platform for understanding the effect of ICCT on both elec- tronic and ionic conductivity. Through photochemical doping of e - –H + pairs and introduction of solvent guest molecules, the Ti-containing MOFs convert from electronic-only insulators conductors (σ e ≈ 10 -12 S cm -1 ) to mixed ion-electron semiconduc- tors (σ e ≈ 10 -7 S cm -1 , σ ion ≈ 10 -5 S cm -1 ). Direct current and alternating current techniques support the existence of proton- electron coupling and, critically, that improved ionic conductivity enhances electronic conductivity. Taken together, these results provide direct evidence that PCET enables long-range charge transport and generalized electrochemical tools and synthetic methods for studying ion-electron coupling in materials broadly.

Charge transport↗

Using Light to Enhance Charge Transfer in Battery Materials: Increasing Charging Rates in LiNi 0.5 Mn 1.5 O 4

Electrochemical, spectroscopic, and computational studies on the interplay between light perturbation and coupled electron and Li-ion transfer in LiNi 0.5 Mn 1.5 O 4 (LNMO) cathodes identify that photon perturbation moves the system out of equilibrium, increases entropy, lowers the impedance of the battery, and increases the charging capacity by at least 15% during fast charging by promoting the oxidation of Ni 3+ to Ni 4+ . Here, the correlation with density functional theory calculations points out that oxidation of Ni 3+ faces a 30% higher barrier compared with the oxidation of Ni 2+ and hence exhibits greater responses to the energy transferred from photons. Structural analysis elucidates that photon energy also assists the transition of LNMO from the Jahn−Teller distorted asymmetric lattice with Ni 3+ to the nondistorted Ni 4+ . Synergistically, photons energize the removal of electrons from Ni 3+ and create photoinduced Ni 4+ intermediates, followed by the removal of Li + with almost two times faster diffusion rates.

5 V spinel↗

Degradation Dynamics of Perovskite Solar Cells Under Fixed Reverse-Current Injection

Previous studies of reverse-bias stability in perovskite solar cells have focused primarily on voltage-controlled tests. Here we instead investigate perovskite solar cell degradation under well-defined, constant reverse-current stress. We show that the choice of hole-transport layer dictates the dominant degradation pathway: cells using thick poly(triphenylamine) (PTAA) layers can tolerate high reverse bias but quickly undergo catastrophic breakdown under fixed reverse current near their one-sun maximum power-point. In contrast, cells modified with phosphonic-acid interface layer MeO-2PACz, with poorer indium-doped tin oxide (ITO) coverage compared to PTAA, exhibit gradual and recoverable degradation under certain stress and recovery conditions. For MeO-2PACz devices, degradation increases with both current magnitude and duration. Importantly, when normalized by injected charge (current times duration), lower currents applied over longer times cause more degradation than higher currents over shorter periods. Here, combining electrical measurements with spatially resolved photoluminescence imaging, our observations support an ion- and charge-mediated interfacial electrochemical degradation mode.

Degradation↗

Comparison of Single-Ion Conducting Polymer Gel Electrolytes for Sodium, Potassium, and Calcium Batteries: Influence of Polymer Chemistry, Cation Identity, Charge Density, and Solvent on Conductivity

From the standpoint of material diversification and sustainability, the development of so-called “beyond lithium-ion” battery chemistries is important for the future of energy storage. Na, K, and Ca are promising as the basis for battery chemistries in that these elements are highly abundant. Here, a series of single-ion conducting polymer electrolytes (SIPEs) for Na, K, and Ca batteries are synthesized and investigated. The two classes of metal cation neutralized SIPEs compared are crosslinked poly(ethylene glycol) dimethacrylate-x-styrene sulfonate (PEGDMA-SS) and poly(tetrahydrofuran) diacrylate-x-4-styrenesulfonyl (trifluoromethylsulfonyl)imide (PTHFDA-STFSI); three cation types, three charge densities, and four swelling states are examined. The impact on conductivity of all of these parameters is studied, and in conjunction with small angle X-ray scattering (SAXS), it is found that promoting ion dissociation and preventing the formation of dense ionic aggregates facilitates ion transport. These results indicate many of the lessons learned from the Li SIPE literature can be translated to beyond Li chemistries. At 25 °C, the best performing Na/K and Ca exchanged polymers yield active cation conductivity on the order of 10 –4 S/cm and 10 –6 S/cm, respectively, for ethylene carbonate:propylene carbonate gelled SIPEs, and 10 –5 S/cm and 10 –7 S/cm, respectively, for glyme gelled SIPEs.

X-ray scattering↗

Phase-field modeling of solid-state metathesis reactions with the charge neutrality constraint

In this work, we present a phase-field model that captures the evolution of ionic concentrations and phase fractions during solid-state metathesis (SSM) reactions where diffusion limits the rate of transformation. The evolution of the mole fraction of each ion is obtained via governing equations that describe the reduction of a free energy, which includes an energy landscape with local minima located at compositions corresponding to stable products. We utilized two Lagrange multipliers to impose constraints of electroneutrality as well as on the sum of mole fractions, which were then eliminated to derive set of two partial differential equations that describe the dynamics of the mole fraction evolution. From these governing equations, the expressions for effective mobilities for the cations and the anions were obtained. We first study the effect of mobilities of ions on the reaction kinetics, using a simple model considering the ions with an identical absolute value of charge numbers. The simulation results show that the overall characteristic mobility, defined as the sum of the two effective ionic mobilities, provides an excellent measure of the rate at which reaction progresses and that the ratio of the effective mobilities of the anions and the cations signifies the manner by which the reaction progresses. We then generalize the model to consider ions with different charge numbers and tuned the mobility of ions based on their diffusion coefficients reported in the literature and experimental data from a thin-film experiment for the synthesis of FeS 2 to demonstrate the capability of the model to predict the phase evolution during SSM reactions. In particular, the simulation predicts nonplanar phase evolution, which is recently observed in thin-film reactions for the synthesis of FeS 2 via transmission electron microscopy. The approach can serve as a basis for models for phase transformations in other multiphase ionic mixtures, such as in all-solid-state batteries and in ionic liquids.

36 MATERIALS SCIENCE↗

How Does Water Dissociation Work in Bipolar Membranes?

Bipolar membranes (BPMs) create counteracting spatial gradients of pH and electrostatic potential in electrochemical systems, enabling applications in pH regulation, electrocatalysis, and separations. At the polarized junction of a BPM the water dissociation (WD, 2H2O ⇌ H3O+ + OH-) reaction can be driven, but it remains poorly understood. In this Perspective, we integrate molecular insights from bulk-water autoionization and the associated field effects with continuum descriptions of BPM electrostatics and experimental WD kinetic analyses to describe possible mechanisms of voltage-driven WD. Pristine BPM junctions highlight both the limits of primarily electric-field-driven WD and the practical challenges of junction stability at extreme reverse bias. Introducing heterogeneous catalyst layers, commonly metal oxides and graphene oxides, accelerates WD by orders of magnitude through hypothesized coupled effects in which surface acid-base functionality and high-density hydroxyl sites mediate proton-transfer steps, and catalyst mobile electronic/ionic charges redistribute the junction electric potential drop to shape the local electric fields and reactive microenvironments. Kinetic analyses suggest two regimes of heterogeneous WD mechanism, including field-driven ordering of interfacial water and a Second-Wien-Effect dissociation-barrier lowering. We conclude by defining the key unknown variables (local pH, electrostatic potential, catalyst charge state and relationships among mechanisms) and outlining experimental and multiscale modeling strategies needed for predictive WD catalysis and for controlling related ion-transfer reactions.

Wu, Yifan↗

Electrochemical Probing of Steric, Electrostatic and Hydrophobic Interactions of Large Cations in Polymers of Intrinsic Microporosity

Porous membranes have been used for many applications, including separations in biotechnology, the food industry, water purification, and even energy storage devices. The benefit of polymers of intrinsic microporosity (PIMs) is their consistently sized nanopore channels. Inherent functionalities of the PIM structure not only create these channels but are also available for further modifications that can change the interactions of ions and molecules inside of the pore. Here we design solid state nanopores on which are drop-casted two different PIMs, functionalized with either a cyano group or a carboxylic acid. Ionic transport through the membranes is investigated based on pore size and charge-charge interactions, as well as steric and hydrophobic interactions. Achieving specific ion selectivity with easily processable porous membranes opens new avenues for water purification strategies and energy storage.

25 ENERGY STORAGE↗

Chemical Sensing and Chemoresponsive Pumping with Conical-Pore Polymeric Membranes

Synthetic membranes containing asymmetrically shaped pores have been shown to rectify the ionic current flowing through the membrane. Ion-current rectification means that such membranes produce nonlinear current–voltage curves analogous to those observed with solid-state diode rectifiers. In order to observe this ion-current rectification phenomenon, the asymmetrically shaped pores must have pore-wall surface charge. Pore-wall surface charge also allows for electroosmotic flow (EOF) to occur through the membrane. We have shown that, because ion-current is rectified, EOF is likewise rectified in such membranes. This means that flow through the membrane depends on the polarity of the voltage applied across the membrane, one polarity producing a higher, and the opposite producing a lower, flow rate. As is reviewed here, these ion-current and EOF rectification phenomena are being used to develop new sensing technologies. Results obtained from an ion-current-based sensor for hydrophobic cations are reviewed. In addition, ion-current and EOF rectification can be combined to make a new type of device—a chemoresponsive nanofluidic pump. This is a pump that either turns flow on or turns flow off, when a specific chemical species is detected. Results from a prototype Pb 2+ chemoresponsive pump are also reviewed here.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Hole Trapping in Halide Perovskites Induces Phase Segregation

Metal halide perovskites have garnered a great deal of attention for their applications in photovoltaics, LEDs, and radiation detection. The ease of solution processing high-quality perovskite semiconductors with large absorption coefficients and tolerance to native defects is decidedly attractive. Additionally, the ability to precisely tune the band gap of halide perovskites through compositional alloying of the halide ion is of particular interest for a range of applications, especially for tandem solar cells. However, under steady state light irradiation, an initially homogeneous mixed halide perovskite (MHP) will form local domains that are rich in one halide ion (e.g., Br or I). This light-induced phase segregation in MHPs forms iodide-rich domains that act as charge carrier traps and lowers the efficiency of perovskite-based devices. Thus, phase segregation poses a serious challenge to the implementation of MHPs in real-world device settings. Interestingly, when a phase segregated MHP film is placed in the dark, entropic driving forces become dominant and the segregated perovskite remixes and returns to its initially homogeneous state. Several key mechanistic details of phase segregation have been elucidated over the years. However, there are still aspects of halide segregation that are not clear, and there is ongoing debate in the literature as to what are the key factors that contribute to the mechanism. This Account discusses recent results that point to the specific role of hole trapping in phase segregation. Interestingly, generation of holes through above-band-gap excitation or through electrochemical injection increases ion migration and leads to phase segregation. The thermodynamic and redox properties of halide perovskites provide a strong driving force for hole trapping and oxidation of iodide species in MHPs. However, mobile halide species within the perovskite lattice take time to migrate and generate halide-rich domains. When in contact with a nonpolar solvent, the migration of iodine species is further extended to expulsion of iodine from the perovskite film. Thus, the mobility of halides and their susceptibility to hole-induced oxidation play a crucial role in determining the long-term stability of metal halide perovskites. Strategies to gain kinetic control over ion migration to slow phase segregation are needed to overcome these hurdles and achieve stable mixed halide perovskites. Modification of the perovskite composition through introduction of different cations or halide ions, or introduction of low-dimensional perovskite phases may suppress phase segregation. Furthermore, in achieving stability and improving the efficiency of perovskite solar cells and light emitting devices with minimal impacts, suppression of segregation remains the key factor.

36 MATERIALS SCIENCE↗

Dynamically preferred state with strong electronic fluctuations from electrochemical synthesis of sodium manganate

Electrochemical (de)intercalation is a delicate method to precisely control the alkaline ion composition in alkaline transition metal oxides. Because of complicated interactions, metal charge ordering patterns can form spontaneously at special fractional alkaline compositions and orderings. In this study, we show that this elegant electrochemical process can create dynamically preferred structures in an anharmonic energy landscape that conventional syntheses and computations can rarely visit. Specifically, electrochemically prepared Na 1/2 MnO 2 ordering exhibits abnormal structure distortions, charge orderings, and dynamical activities. Strong magnetic fluctuations and lattice dynamics are observed in an unusually wide temperature range in Na 1/2 MnO 2 , which distinguishes it from all other Na x MnO 2 at higher or lower Na compositions. The results emphasize the unique opportunity of using electrochemical processes to design and create novel quantum states with strongly coupled and mutually enhanced electronic and lattice fluctuations, likely through a special dynamic charge flux functional, as suggested by our computational investigations.

25 ENERGY STORAGE↗