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DOE OSTI2024

Electric Vehicle Charging Infrastructure Trends from the Alternative Fueling Station Locator: First Quarter 2024

Electric vehicle (EV) charging infrastructure continues to rapidly change and grow. Using data from the U.S. Department of Energy's (DOE's) Alternative Fueling Station Locator, this report provides a snapshot of the state of EV charging infrastructure in the United States in the first calendar quarter of 2024 (Q1 2024) by charging level, network, and location. Additionally, this report measures the current state of charging infrastructure compared to the infrastructure requirement scenario outlined in the National Renewable Energy Laboratory (NREL) report, "The 2030 National Charging Network: Estimating U.S. Light-Duty Demand for Electric Vehicle Charging Infrastructure" (https://www.nrel.gov/docs/fy23osti/85654.pdf). This information is intended to help transportation planners, policymakers, researchers, infrastructure developers, and others understand the rapidly changing landscape of EV charging infrastructure. This is the 17th report in a series. Reports from previous quarters can be found in the Alternative Fuels Data Center (AFDC) and NREL publication databases, as well as the AFDC Charging Infrastructure Trends page (https://afdc.energy.gov/fuels/electricity_infrastructure_trends.html).

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Electric Vehicle Charging Infrastructure Trends from the Alternative Fueling Station Locator: Second Quarter 2024

Electric vehicle (EV) charging infrastructure continues to rapidly change and grow. Using data from the U.S. Department of Energy's (DOE's) Alternative Fueling Station Locator, this report provides a snapshot of the state of EV charging infrastructure in the United States in the second calendar quarter of 2024 (Q2 2024) by charging level, network, and location. Additionally, this report measures the current state of charging infrastructure compared to the infrastructure requirement scenario outlined in the National Renewable Energy Laboratory (NREL) report, "The 2030 National Charging Network: Estimating U.S. Light-Duty Demand for Electric Vehicle Charging Infrastructure" (https://www.nrel.gov/docs/fy23osti/85654.pdf). This information is intended to help transportation planners, policymakers, researchers, infrastructure developers, and others understand the rapidly changing landscape of EV charging infrastructure. This is the 18th report in a series. Reports from previous quarters can be found in the Alternative Fuels Data Center (AFDC) and NREL publication databases, as well as the AFDC Charging Infrastructure Trends page (https://afdc.energy.gov/fuels/electricity_infrastructure_trends.html).

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

A novel large-scale EV charging scheduling algorithm considering V2G and reactive power management based on ADMM

Electric vehicle aggregators (EVAs) that utilize vehicle-to-grid (V2G) technologies can function as both controllable loads and virtual power plants, providing key energy management services to the distribution system operator (DSO). EVAs can also balance the grid’s reactive power as a virtual static VAR compensator (SVC) and provide voltage stability by utilizing advanced electric vehicle (EV) chargers that are capable of four-quadrant operations to provide reactive power management. Finally, managed charging can benefit EVAs themselves by minimizing power factor penalties in their electricity bills. In this paper, we propose a novel EV charging scheduling algorithm based on a hierarchical distributed optimization framework that minimizes peak load and provides reactive power compensation for the DSO by collaboration with EVAs that manage both the active and the reactive charging and discharging power of participating EVs. Utilizing the alternative direction method of multipliers (ADMM), the proposed distributed optimization approach scales well with increased EV charging infrastructure by balancing active and reactive power while decreasing computational burden. In our proposed hierarchical approach, each EVA schedules the active and reactive EV charging and discharging power for 1) reactive power compensation in order to minimize power factor penalty and electricity cost accrued by the EVA, 2) satisfaction of each EV’s energy demand at minimal charging cost, and 3) peak shaving and load management for the DSO. When compared with an uncoordinated charging model, the efficacy of this proposed model is successfully demonstrated through a 300% decreased peak EV load for the DSO, 28% lower electricity costs for EV users, and 98.55% smaller power factor penalty, along with 17.58% lower overall electricity costs, for EVAs. The performance of our approach is validated in a case study with 50 EVs at multiple EVAs in an IEEE 13-bus test case and compared the results with uncoordinated EV charging.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Do Impulsive Solar-Energetic-Electron (SEE) Events Drive High-Voltage Charging Events on the Nightside of the Moon?

When the Earth’s moon is in the supersonic solar wind, the darkside of the Moon and the lunar plasma wake can be very dangerous charging environments. In the absence of photoelectron emission (dark) and in the absence of cool plasma (wake), the emission or collection of charge to reduce electrical potentials is difficult. Unique extreme charging events may occur during impulsive solar-energetic-electron (SEE) events when the lunar wake is dominated by relativistic electrons, with the potential to charge and differentially charge objects on and above the lunar surface to very-high negative electrical potentials. In this report the geometry of the magnetic connections from the Sun to the lunar nightside are explored; these magnetic connections are the pathways for SEEs from the Sun. Rudimentary charging calculations for objects in the relativistic-electron environment of the lunar wake are performed. To enable these charging calculations, secondary-electron yields for impacts by relativistic electrons are derived. Needed lunar electrical-grounding precautions for SEE events are discussed. Calls are made 1) for future dynamic simulations of the plasma wake in the presence of time-varying SEE-event relativistic electrons and time-varying solar-wind magnetic-field orientations and 2) for future charging calculations in the relativistic-electron wake environment and on the darkside lunar surface.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Co-Design of Charge Transport Superhighways to Connect Catalytic Sites in Soft Photoelectrochemical Systems

Efficient photon-to-electron-to-molecule conversion requires multi-length scale control over charge transport pathways, where electronic charges are delivered to catalytic sites under high mass transport flux. A fundamental question is how can we co-design charge transport pathways to promote efficient charge transfer to/from catalytic sites in complex three-dimensional architectures? Soft conducting polymer systems offer exceptional promise to provide three-dimensional charge transport networks, where electrolyte (ion and solvent) can interdiffuse to promote long-lived charge carriers and the molecular nature allows for strategic synthetic design of catalytic sites. Herein we combine theoretical and experimental approaches to investigate the earliest stages of photoelectrochemical deposition of near-surface catalytic sites (Pt) on soft bulk heterojunction polymeric semiconductors composed of a prototype donor (PTB7-Th) and a prototype acceptor (N2200) as a model system towards better understanding molecular catalyst-polymer site interactions. We focus initially on photoelectrochemical deposition of low Pt loadings, nanoparticle sizes (formed by progressive nucleation) below 20 nm, for both density functional theory (DFT) modeling studies and for spectroscopic characterization using surface-sensitive X-ray and UV-photoemission (XPS/UPS). DFT modeling of “n-type” N2200 slabs reveal for the first time that sulfur atoms in the thiophene units serve as the lowest-energy adsorption sites for single Pt atoms, while larger Pt clusters engage more complexly with both thiophene and naphthalene diimide (NDI) core sites. Changes in chemical composition observed by X-ray photoelectron spectroscopy (XPS) support the DFT predictions, and the angle-resolved measurements reveal that Pt nucleation initiates at subsurface sites which appear to be localized active domains that promote charge transport/transfer and enable vertical growth toward the surface. These results suggest that light-activated Pt nanoparticle deposition decorates energetically distinct sites, where photoactivity is dictated by the local energetics of those sites, and the fact that they represent the termini of charge transport “super-highways” – a small percentage of the total volume of the donor/acceptor polymeric active layer which carries most of the photocurrent generated during both Pt deposition and photoelectrochemical HER. We posit that these initial studies provide a foundational strategy for design of catalytic sites in the near surface regions of complex polymeric materials and advancing soft semiconductor-based photoelectrochemical systems. Achieving a nanometer-scale understanding of catalyst deposition and the impact of local composition and energetics on that placement, should ultimately provide the design guidelines (co-design) for a broad array of catalysts at sites that optimize that efficiency and maximize platform durability.

14 SOLAR ENERGY↗
DOE OSTI2015

Impact of Fast Charging on Life of EV Batteries; NREL (National Renewable Energy Laboratory)

Installation of fast charging infrastructure is considered by many as one of potential solutions to increase the utility and range of electric vehicles (EVs). This is expected to reduce the range anxiety of drivers of EVs and thus increase their market penetration. Level 1 and 2 charging in homes and workplaces is expected to contribute to the majority of miles driven by EVs. However, a small percentage of urban driving and most of inter-city driving could be only achieved by a fast-charging network. DC fast charging at 50 kW, 100 kW, 120 kW compared to level 1 (3.3 kW) and level 2 (6.6 kW) results in high-current charging that can adversely impact the life of the battery. In the last couple of years, we have investigated the impact of higher current rates in batteries and potential of higher temperatures and thus lower service life. Using mathematical models, we investigated the temperature increase of batteries due to higher heat generation during fast charge and have found that this could lead to higher temperatures. We compared our models with data from other national laboratories both for fine-tuning and calibration. We found that the incremental temperature rise of batteries during 1C to 3C fast charging may reduce the practical life of the batteries by less than 10% over 10 to 15 years of vehicle ownership. We also found that thermal management of batteries is needed for fast charging to prevent high temperature excursions leading to unsafe conditions.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2018

The implications of fast charge in lithium ion battery performance and life: cell vs. pack

This study investigates the effect of 50-kW (about 2C) direct current fast charging on a full-size battery electric vehicle's battery pack in comparison to a pack exclusively charged at 3.3?kW, which is the common alternating current Level 2 charging power level. Comparable scaled charging protocols are also independently applied to individual cells at three different temperatures, 20?°C, 30?°C, and 40?°C, to perform a comparative analysis with the packs. Dominant cell-level aging modes were identified through incremental capacity analysis and compared with full packs to gain a clear understanding of additional key factors that affect pack aging. While the cell-level study showed a minor impact on performance due to direct current fast charging, the packs showed a significantly higher rate of capacity fade under similar charging protocols. This indicates that pack-level aging cannot be directly extrapolated from cell evaluation. Delayed fast charging, completing shortly before discharge, was found to have less of an impact on battery degradation than conventional alternating current Level 2 charging.

25 ENERGY STORAGE↗
DOE OSTI2022

Aligning Electric Vehicle Customer Charging with Grid Needs

This talk to the National Association of Regulatory Utility Commissioners (NARUC) focuses on "Aligning Electric Vehicle Customer Charging with Grid Needs" to highlight the opportunities associated with managed electric vehicle charging and its value for consumers and the power system. Electric vehicles (EVs) are experiencing a rapid rise in popularity and adoption, and growing EV adoption offers an opportunity to increase electricity demand. With expected widespread EV adoption, supporting charging will require investments in generation, transmission, and distribution systems. Uncoordinated charging of EVs will lead to increased system peak load, possibly exceeding the maximum power that can be supported by distribution systems and generally increasing power system stress. However, vehicles are underutilized assets parked ~96% of the time: managed EV charging can satisfy mobility needs while also supporting the grid. EVs are not a burden for the grid, but a resource: The demand-side flexibility provided by managed EV charging offers significant potential benefits for the grid over multiple timescales and applications., especially for high-renewable systems. Managed charging can support power system planning and operations during normal and extreme conditions, benefitting EV owners and other electricity consumers. Managed charging is shown to consistently provide hundreds of dollars in cost savings per EV each year.

ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2017

Molecular Structures and Momentum Transfer Cross Sections: The Influence of the Analyte Charge Distribution

Structure elucidation by ion mobility spectrometry-mass spectrometry methods is based on the comparison of an experimentally measured momentum transfer cross-section to cross-sections calculated for model structures. Thus, it is imperative that the calculated cross-section must be accurate. However, it is not fully understood how important it is to accurately model the charge distribution of an analyte ion when calculating momentum transfer cross-sections. Here, we calculate and compare momentum transfer cross-sections for carbon clusters that differ in mass, charge state, and mode of charge distribution, and vary temperature and polarizability of the buffer gas. Our data indicate that the detailed distribution of the ion charge density is intimately linked to the contribution of glancing collisions to the momentum transfer cross-section. The data suggest that analyte ions with molecular mass ~3 kDa or momentum transfer cross-section 400–500 Å{sup 2} would be significantly influenced by the charge distribution in nitrogen buffer gas. Our data further suggest that accurate structure elucidation on the basis of IMS-MS data measured in nitrogen buffer gas must account for the molecular charge distribution even for systems as large as C{sub 960} (~12 kDa) when localized charges are present and/or measurements are conducted under cryogenic temperatures. Finally, our data underscore that accurate structure elucidation is unlikely if ion mobility data recorded in one buffer gas is converted into other buffer gases when electronic properties of the buffer gases differ. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

Electricity rates for electric vehicle direct current fast charging in the United States

While several efforts are promoting a widespread and convenient network of direct current fast charging (DCFC) stations to support electric vehicles, there is limited understanding of the magnitude and variability of the cost of electricity for these applications. This information gap may hinder optimal investing and planning for charging station placement and in turn affect electric vehicle adoption and usage. Here, we assess the electricity cost for different scenarios of DCFC station size and use based on over 7500 commercial and industrial electricity rates available for 2017 across the United States. Results show that the cost of electricity for DCFC varies dramatically, ranging from less than 0.10 cents to over 2 dollars per kilowatt-hour, depending on station design and high uncertainty in use. The main driver of cost is low utilization, which results from a combination of few charging events and limited energy recharged during each event. Low utilization leads to significantly higher electricity cost, particularly for rates with demand charges; however, cost decreases rapidly as utilization increases. For high-utilization stations, selecting rates with demand charges can actually reduce electricity costs compared to non-demand-charge rates. Furthermore, significant opportunities for cost savings based on existing rates include preferential charging during off-peak hours and limiting multi-plug station power so that not all plugs can be used simultaneously at maximum power.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Charge Carrier Induced Structural Ordering And Disordering in Organic Mixed Ionic Electronic Conductors

Operational stability underpins the successful application of organic mixed ionic-electronic conductors (OMIECs) in a wide range of fields, including biosensing, neuromorphic computing, and wearable electronics. Here in this work, both the operation and stability of a p-type OMIEC material of various molecular weights are investigated. Electrochemical transistor measurements reveal that device operation is very stable for at least 300 charging/discharging cycles independent of molecular weight, provided the charge density is kept below the threshold where strong charge–charge interactions become likely. When electrochemically charged to higher charge densities, an increase in device hysteresis and a decrease in conductivity due to a drop in the hole mobility arising from long-range microstructural disruptions are observed. By employing operando X-ray scattering techniques, two regimes of polaron-induced structural changes are found: 1) polaron-induced structural ordering at low carrier densities, and 2) irreversible structural disordering that disrupts charge transport at high carrier densities, where charge–charge interactions are significant. These operando measurements also reveal that the transfer curve hysteresis at high carrier densities is accompanied by an analogous structural hysteresis, providing a microstructural basis for such instabilities. This work provides a mechanistic understanding of the structural dynamics and material instabilities of OMIEC materials during device operation.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Subleading BMS charges and fake news near null infinity

In this paper we establish a relation between the non-linearly conserved New-man-Penrose charges and certain subleading terms in a large- r expansion of the BMS charges in an asymptotically-flat spacetime. We define the subleading BMS charges by considering a 1 /r -expansion of the Barnich-Brandt prescription for defining asymptotic charges in an asymptotically-flat spacetime. At the leading order, i.e. 1 /r 0 , one obtains the standard BMS charges, which would be integrable and conserved in the absence of a flux term at null infinity, corresponding to gravitational radiation, or Bondi news. At subleading orders, analogous terms in general provide obstructions to the integrability of the corresponding charges. Since the subleading terms are defined close to null infinity, but vanish actually at infinity, the analogous obstructions are not associated with genuine Bondi news. One may instead describe them as corresponding to “fake news”. At order r -3 , we find that a set of integrable charges can be defined and that these are related to the ten non-linearly conserved Newman-Penrose charges.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Measurement of quark- and gluon-like jet fractions using jet charge in PbPb and pp collisions at 5.02 TeV

The momentum-weighted sum of the electric charges of particles inside a jet, known as jet charge, is sensitive to the electric charge of the particle initiating the parton shower. This paper presents jet charge distributions in $ \sqrt{s_{\mathrm{NN}}} $ = 5.02 TeV lead-lead (PbPb) and proton-proton (pp) collisions recorded with the CMS detector at the LHC. These data correspond to integrated luminosities of 404 μb$^{−1}$ and 27.4 pb$^{−1}$ for PbPb and pp collisions, respectively. Leveraging the sensitivity of the jet charge to fundamental differences in the electric charges of quarks and gluons, the jet charge distributions from simulated events are used as templates to extract the quark- and gluon-like jet fractions from data. The modification of these jet fractions is examined by comparing pp and PbPb data as a function of the overlap of the colliding Pb nuclei (centrality). This measurement tests the color charge dependence of jet energy loss due to interactions with the quark-gluon plasma. No significant modification between different centrality classes and with respect to pp results is observed in the extracted quark- and gluon-like jet fractions.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Universality of effective central charge in interface CFTs

When an interface connects two CFTs, the entanglement entropy between the two CFTs is determined by a quantity called the effective central charge. The effective central charge does not have a simple form in terms of the central charges of the two CFTs, but intricately depends on the transmissive properties of the interface. In this article, we examine universal properties of the effective central charge. We first clarify how the effective central charge appears when considering general subsystems of the interface CFT. Then using this result and ideas used in the proof of the c-theorem, we provide a universal upper bound on the effective central charge. In past studies, the effective central charge was defined only in two dimensions. We propose an analogue of the effective central charge in general dimensions possessing similar universal properties as in two dimensions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Understanding the role of negative charge in the scaffold of an artificial enzyme for CO 2 hydrogenation on catalysis

Here, we have approached the construction of an artificial enzyme by employing a robust protein scaffold, lactococcal multidrug resistance regulator, LmrR, providing a structured secondary and outer coordination spheres around a molecular rhodium complex, [Rh I (P Et2 N gly P Et2 ) 2 ] - . Previously, we demonstrated a 2–3 fold increase in activity for one Rh-LmrR construct by introducing positive charge in the secondary coordination sphere. In this study, a series of variants was made through site-directed mutagenesis where the negative charge is located in the secondary sphere or outer coordination sphere, with additional variants made with increasingly negative charge in the outer coordination sphere while keeping a positive charge in the secondary sphere. Placing a negative charge in the secondary or outer coordination sphere demonstrates decreased activity by a factor of two compared to the wild-type Rh-LmrR. Interestingly, addition of positive charge in the secondary sphere, with the negatively charged outer coordination sphere restores activity. Vibrational and NMR spectroscopy suggest minimal changes to the electronic density at the rhodium center, regardless of inclusion of a negative or positive charge in the secondary sphere, suggesting another mechanism is impacting catalytic activity, explored in the discussion.

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

Two-dimensional assembly of gold nanoparticles grafted with charged-end-group polymers

We introduced charged terminal groups to polymers that graft nanoparticles enable Coulombic control over their assembly by tuning the pH and salinity of their aqueous suspensions. Gold nanoparticles (AuNPs) are grafted with poly (ethylene glycol) (PEG) terminated with CH 3 (charge-neutral), COOH (negatively charged) or NH 2 groups (positively charged), and characterized with dynamic light scattering, ζ-potential, and thermal gravimetric analysis. Liquid surface X-ray reflectivity (XR) and grazing incidence small-angle X-ray scattering (GISAXS) are used to determine the density profile and in-plane structure of the AuNPs assembly at the aqueous surface. Assembly of PEG-AuNPs at the liquid/vapor interface is tunable by adjusting pH or salinity for COOH but less for NH 2 terminals. The distinct assembly behaviors are attributed to the overall charge of PEG-AuNPs as well as PEG conformation. COOH-PEG corona is more compact than those of the other terminal groups, leading to a crystalline structure with a smaller superlattice. The net charge per particle depends not only on the PEG terminal groups but also on the cation sequestration of PEG and the intrinsic negative charge of the AuNP surface. The closeness to overall charge neutrality, and hydrogen bonding in play, brought by NH 2 -PEG, drive NH 2 -PEG-AuNPs to assembly and crystallinity without additives to the suspensions.

36 MATERIALS SCIENCE↗
DOE OSTI2016

A Comprehensive Set of High-Quality Point Charges for Simulations of Metal–Organic Frameworks

Most classical simulations of metal-organic frameworks model electrostatic interactions using point charges on each atom in the structure. We report atomic point charges derived from periodic DFT electronic structure calculations for over 2,000 unique experimentally synthesized MOFs. These charges are publicly available as a supplement to the Computation-Ready Experimental MOF database. These DFT derived atomic point charges are compared to semi-empirical group contribution and charge equilibration methods for assigning charges. As an example of using these charges, we examined each MOF for usefulness in the adsorptive removal of tert-butyl mercaptan (TBM) from natural gas. Monte Carlo simulations revealed many candidate MOF structures with high selectivity for TBM over CH 4 and high TBM capacity. As a result, we anticipate that this public dataset of atomic point charges for MOFs will facilitate high-throughput screening for a wide variety applications where electrostatic interactions must be considered.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Spectroscopic Investigation into P(NDI2OD-T2) Charge Localization

P(NDI2OD-T2), commonly referred to as N2200, stands out as a promising electron-transporting (n-type) polymer for low-cost, flexible (photo)electrochemical applications due to its reversible two-electron reduction and high electron mobility. UV–vis spectroelectrochemistry in the tetrabutyl ammonium hexafluorophosphate/acetonitrile electrolyte shows two sets of chemically reversible redox signals in the cyclic voltammetry corresponding to the reduction of the neutral polymer film to polaronic and bipolaronic species. These electrochemical signatures suggest a distinct electronic reorganization upon reduction (polaron/bipolaron formation), highlighting the need for molecular-level insights into how charges are accommodated within the polymer backbone. While it has been previously hypothesized that charge predominantly localizes on the naphthalene diimide (NDI) unit during reductive charging, specific changes in atomic environments that confirm this localization have not been characterized in n-type polymers. Herein, we use near-edge X-ray absorption fine structure (NEXAFS) spectroscopy to probe electronic transitions in an electrochemically charged polymer to deduce charge localization. The O K-edge (1s) spectra exhibit two distinct π* peaks; the intensity of the lower-energy π* a peak that corresponds to an excitation to a largely localized carbonyl state decreases with reductive potentials relative to the higher-energy π* b peak. We corroborate this with Raman spectroscopy at different potentials, which shows a decrease in intensity on the C–C/C═C and C═O stretching bands of NDI as well as a red shift of the carbonyl band due to the formation of a polaron on the NDI. Additionally, new Raman active NDI signals associated with elongated C═O and C═C bonds are observed at lower energy during the formation of charged states. Together with theoretical calculations, these findings show that the injected charge spatially localizes on the NDI units and is dominantly distributed on the carbonyl groups. In conclusion, the combination of NEXAFS, optical and vibrational spectroscopies, and theoretical calculations is generalizable to other pi-conjugated polymers and can identify charge localization for the further development of organic semiconductors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗