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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

A new high voltage alluaudite sodium battery insertion material

Large-scale stationary storage forms a key sector that can be economically served by sodium-ion batteries. In realizing practical sodium-ion batteries, discovery and development of novel cathodes is essential. In this spirit, alluaudite-type Na 2 Fe 2 (SO 4 ) 3 was reported in 2014 to have the highest Fe 3+ /Fe 2+ redox potential (~3.8 V vs. Na). This finding led to reports on various PO4 3– and SO4 2– based alluaudite compounds exhibiting high energy densities. In 2017, MoO 4 2– based alluaudite, Na 2.67 Mn 1.67 (MoO 4 ) 3 , was found as a 3.45 V cathode material. Exploring molybdenum chemistry further, this work reports alluaudite type Na 3.36 Co 1.32 (MoO 4 ) 3 (NCMo) as a novel versatile electroactive cathode for Li-ion and Na-ion batteries. It was synthesized by a wet solution-combustion route with a restricted annealing duration of 1 min at 600 °C. Calorimetric study revealed the formation enthalpy from component oxides (ΔH° f,ox = –575.49 ± 7.75 kJ/mol) to be highly exothermic. Unlike the sulfate class of alluaudites, this material is highly stable in air and moisture (ΔH ds = 537.42 ± 0.78 kJ/mol). Having an ionic conductivity of 6.065 × 10 –8 S/cm (at 50 °C), it offers a pseudo two-dimensional Na + migration pathway. Without any material optimization, NCMo was found to work as a high-voltage insertion cathode (ca. 4.0 V vs. Na/Na + and 4.1 V vs. Li/Li + ) in sync with theoretically predicted potential of 3.98 V (vs. Na/Na + ). Ex-situ X-ray diffraction and photoelectron spectroscopy studies revealed the occurrence of solid-solution redox mechanism solely involving Co 3+ /Co 2+ redox centre. Finally, it benchmarks Na 3.36 Co 1.32 (MoO 4 ) 3 as a novel electrochemically active Mo-based alluaudite-type polyanionic cathode insertion material.

25 ENERGY STORAGE↗
DOE OSTI2020

Toward a high-voltage fast-charging pouch cell with TiO 2 cathode coating and enhanced battery safety

Nickel-rich layered lithium transition metal oxides, LiNi x Co y Mn 1-x-y O 2 , are key cathode materials for high-energy lithium-ion batteries owing to their high specific capacity. However, the commercial deployment of nickel-rich oxides has been hampered by their poor thermostability and insufficient cycle life. In this work full batteries with uncoated and TiO 2 -coated LiNi 0.5 Co 0.2 Mn 0.3 O 2 cathodes and graphite anodes are compared in terms of electrochemical performance and safety behavior. The battery using a TiO 2 -coated LiNi 0.5 Co 0.2 Mn 0.3 O 2 cathode exhibited better cyclic performance at high cutoff voltage. Electrochemical impedance spectroscopy analysis indicated that the TiO 2 -coated LiNi 0.5 Co 0.2 Mn 0.3 O 2 cathode gave the battery a more stable charge transfer resistance. Transmission electron microscopy demonstrated that TiO 2 coating reduced accumulation of the cathode electrolyte interface layer on the particle surface. Time-of-flight secondary ion mass spectrometry demonstrated that TiO 2 coating markedly enhanced the interface stability of the cathode particle and protected the particle from serious etching by the electrolyte. Accelerating rate calorimetry revealed that the trigger temperature of thermal runaway for the battery using TiO 2 -coated LiNi 0.5 Co 0.2 Mn 0.3 O 2 as cathode material was 257 °C, which was higher than that of the battery with the uncoated LiNi 0.5 Co 0.2 Mn 0.3 O 2 cathode (251 °C). In situ X-ray diffraction during heating demonstrated that this enhanced safety can be attributed to the suppressed phase evolution of the coated cathode material.

25 ENERGY STORAGE↗
DOE OSTI2021

Solvation-protection-enabled high-voltage electrolyte for lithium metal batteries

To facilitate the practical application of lithium metal batteries (LMBs), stable interfaces between the electrolyte and the lithium metal must be achieved. Herein, we introduce a solvation protection strategy for designing a functional electrolyte for high-voltage LMBs. Fluoroethylene carbonate (FEC) was introduced as a solvation protection solvent for the difluoroethylene carbonate (DFEC)/trifluoroethyl methyl carbonate (FEMC) electrolyte system to enable the cycling of lithium metal anode. The addition of FEC alters the structures of lithium complexes in solution because of its relatively high solvating power. Through the precise control of the solvation number (> 1) of fluorinated cyclic carbonate (i.e., FEC:DFEC > critical ratio), lithium complexes with Li + solvated solely by FEMC, which decompose on the lithium surface to form detrimental by-products, can be effectively eliminated. Here, the new ternary FEC/DFEC/FEMC system not only maintains the beneficial effect of DFEC in forming a robust solid-electrolyte interphase on the lithium anode, but also confers outstanding anodic stability provided by FEMC, while eliminating detrimental FEMC decomposition through the solvation protection effect of FEC. Clearly, this ternary system outperforms the FEC/FEMC and DFEC/FEMC binary systems in facilitating the stable cycling of LMBs.

25 ENERGY STORAGE↗
DOE OSTI2025

Constructing synthetic organosulfur additive for high voltage lithium-ion batteries

Despite its high anodic stability, common organosulfur solvents such as ethyl methyl sulfone and sulfolane typically exhibit poor solid-electrolyte interphase (SEI) formation capability. Here, to address this, the fluorinated organic sulfate 4-(trifluoromethyl)-1,3,2-dioxathiolane 2,2-dioxide (TFDTD) was developed as an effective additive for tailoring organosulfur-based electrolytes in lithium-ion batteries. This development was guided by the functionality selection principle and careful evaluation of feasibility in organic synthesis. TFDTD can be readily synthesized through the reaction between trifluoropropylene glycol and sulfuryl chloride. The ring structure of the organic sulfate enables the formation of a stable SEI on the anode, while the fluorination of the sulfate not only enhances its chemical stability and oxidation potential, but also its effectiveness to protect the anode by increasing its reduction potential, rendering it preferentially reduced on the anode surface before the decomposition of other electrolyte components. Introducing TFDTD facilitates the generation of a robust solidelectrolyte interphase on the graphite anode, significantly enhancing cell performance. Moreover, coupling the use of TFDTD with vinylene carbonate provides further protection on the cathode surface, enabling exceptionally stable, high-voltage, long-term cycling of Gr||NMC full cells.

Functionality selection principle↗
DOE OSTI2023

Voltage scanning and technical upgrades at the Collinear Resonance Ionization Spectroscopy experiment

To optimize the performance of the Collinear Resonance Ionization Spectroscopy (CRIS) experiment at CERN-ISOLDE, technical upgrades are continuously introduced, aiming to enhance its sensitivity, precision, stability, and efficiency. Recently, a voltage-scanning setup was developed and commissioned at CRIS, which improved the scanning speed by a factor of three as compared to the current laser-frequency scanning approach. This leads to faster measurements of the hyperfine structure for systems with high yields (more than a few thousand ions per second). Additionally, several beamline sections have been redesigned and manufactured, including a new field-ionization unit, an electrostatic bend with a larger deflection angle, and improved ion optics. The beamline upgrades are expected to yield an improvement of at least a factor of 5 in the signal-to-noise ratio by avoiding the use of high-power lasers (which yield non-resonantly produced ions) and providing time-of-flight separation between the resonant ions and the collisional background.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Variable voltage electron microscopy: Toward atom-by-atom fabrication in 2D materials

The precisely focused electron beam (e-beam) in scanning transmission electron microscopy has been found to be a versatile tool for patterning matter on the atomic level and enabling atom-by-atom fabrication, however, beam-induced phenomena are known to be extremely sensitive to the e-beam energy and are closely correlated with the proximity of the knock-on threshold. Here we provide a method to control the energy transferred to the sample while facilitating much faster changes in accelerating voltages by maintaining a nearly constant temperature in the electron microscope lenses. We use this method to demonstrate in-situ nano-milling of a graphene film followed rapidly by “gentler” imaging at lower energy. Additionally, the insertion and controlled movement of silicon dopants in graphene is demonstrated by employing a different e-beam energy during each process. We believe the incorporation of variable e-beam energy will broaden the potential for atomic scale e-beam fabrication.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Enabling High-Temperature and High-Voltage Lithium-Ion Battery Performance through a Novel Cathode Surface-Targeted Additive

We report lithium-ion batteries (LIBs) are being used in locations and applications never imagined when they were first conceived. To enable this broad range of applications, it has become necessary for LIBs to be stable to an ever broader range of conditions, including temperature and energy. Unfortunately, while negative electrodes have received a great deal of focus in electrolyte development, stabilization of positive electrodes remains an elusive target. Here, we report a novel additive that shows the ability to protect positive electrodes against elevated temperatures and voltages. This additive can be used in small quantities, and its targeted behavior allows it to remain functional in complex electrolyte packages. This can prove an effective approach to targeting specific aspects of cell performance.

25 ENERGY STORAGE↗
DOE OSTI2024

Aqueous Processed All-Polymer Solar Cells with High Open-Circuit Voltage Based on Low-Cost Thiophene–Quinoxaline Polymers

Eco-friendly solution processing and the low-cost synthesis of photoactive materials are important requirements for the commercialization of organic solar cells (OSCs). Although varieties of aqueous-soluble acceptors have been developed, the availability of aqueous-processable polymer donors remains quite limited. In particular, the generally shallow highest occupied molecular orbital (HOMO) energy levels of existing polymer donors limit further increases in the power conversion efficiency (PCE). Here, we design and synthesize two water/alcohol-processable polymer donors, poly[(thiophene-2,5-diyl)-alt-(2-((13-(2,5,8,11-tetraoxadodecyl)-2,5,8,11-tetraoxatetradecan-14-yl)oxy)-6,7-difluoroquinoxaline-5,8-diyl)] (P(Qx8O-T)) and poly[(selenophene-2,5-diyl)-alt-(2-((13-(2,5,8,11-tetraoxadodecyl)-2,5,8,11-tetraoxatetradecan-14-yl)oxy)-6,7-difluoroquinoxaline-5,8-diyl)] (P(Qx8O-Se)) with oligo(ethylene glycol) (OEG) side chains, having deep HOMO energy levels (~–5.4 eV). The synthesis of the polymers is achieved in a few synthetic and purification steps at reduced cost. The theoretical calculations uncover that the dielectric environmental variations are responsible for the observed band gap lowering in OEG-based polymers compared to their alkylated counterparts. Notably, the aqueous-processed all-polymer solar cells (aq-APSCs) based on P(Qx8O-T) and poly[(N,N'-bis(3-(2-(2-(2-methoxyethoxy)-ethoxy)ethoxy)-2-((2-(2-(2-methoxyethoxy)ethoxy)ethoxy)-methyl)propyl)naphthalene-1,4,5,8-bis(dicarboximide)-2,6-diyl)-alt-(2,5-thiophene)] (P(NDIDEG-T)) active layer exhibit a PCE of 2.27% and high open-circuit voltage (V OC ) approaching 0.8 V, which are among the highest values for aq-APSCs reported to date. This study provides important clues for the design of low-cost, aqueous-processable polymer donors and the fabrication of aqueous-processable OSCs with high V OC .

14 SOLAR ENERGY↗
DOE OSTI2020

Arylammonium-Assisted Reduction of the Open-Circuit Voltage Deficit in Wide-Bandgap Perovskite Solar Cells: The Role of Suppressed Ion Migration

Surface treatment using large alkyl/aryl ammonium cations has demonstrated reduced open-circuit voltage (V OC ) deficits in perovskite solar cells (PSCs), but the origin of the improvements has been vaguely attributed to defect passivation. Here, we combine the microscopic probing of the local electrical properties, thermal admittance spectroscopic analysis, and first principles calculations to elucidate the critical role of arylammonium interface layers on suppressing the ion migration in wide-bandgap (WBG) PSCs. Our results reveal that arylammonium surface treatment using phenethylammonium iodide increases the activation energy barrier for ion migration on the surface, which suppresses the accumulation of charge defects at surface and grain boundaries (GBs), leading to reduced dark saturation current density in WBG PSCs. Furthermore, with device optimization, our champion 1.73-eV PSC delivers a power conversion efficiency of 19.07% with a V OC of 1.25 V, achieving a V OC -deficit of 0.48 V.

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

Basic factors for acquiring, correcting, and interpreting probe current-voltage characteristic in moderate-collisional plasma for determining electron energy distribution

Methods for inferring the electron distribution function (EDF) from a probe current–voltage trace are reviewed for moderate-collisional plasma. The explicit accounting of particle collisions, modeling sheath depletion, and electron refilling processes are rarely performed when analyzing probe measurements, yet they are critical for regime validity, EDF-profile accuracy, and space potential quantification precision. Furthermore, the advantages, limitations, and utilization of large-area wall probes in moderate-collisional plasma, capable of highly resolved indications of energetic electrons in plasma, are outlined.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Operation of Cs–Sb–O activated GaAs in a high voltage DC electron gun at high average current

Negative Electron Affinity (NEA) activated GaAs photocathodes are the most popular option for generating a high current (>1 mA) spin-polarized electron beam. Despite its popularity, a short operational lifetime is the main drawback of this material. Recent works have shown that the lifetime can be improved by using a robust Cs–Sb–O NEA layer with minimal adverse effects. In this work, we operate GaAs photocathodes with this new activation method in a high voltage environment to extract a high current. We demonstrate that improved chemical resistance of Cs–Sb–O activated GaAs photocathodes allowed them to survive a day-long transport process from a separate vacuum system using a vacuum suitcase. During beam running, we observed spectral dependence on lifetime improvement. In particular, we saw a 45% increase in the lifetime at 780 nm on average for Cs–Sb–O activated GaAs compared to Cs–O activated GaAs.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Sources of error and methods to improve accuracy in interface state density analysis using quasi-static capacitance–voltage measurements in wide bandgap semiconductors

Characterizing interface trap states in commercial wide bandgap devices using frequency-based measurements requires unconventionally high probing frequencies to account for both fast and slow traps associated with wide bandgap materials. The C - ψs technique has been suggested as a viable quasi-static method for determining the interface trap state densities in wide bandgap systems, but the results are shown to be susceptible to errors in the analysis procedure. Here this work explores the primary sources of errors present in the C - ψs technique using an analytical model that describes the apparent response for wide bandgap MOS capacitor devices. Measurement noise is shown to greatly impact the linear fitting routine of the 1/C$^{*2}_s$ vs Ψ s plot to calibrate the additive constant in the surface potential/gate voltage relationship, and an inexact knowledge of the oxide capacitance is also shown to impede interface trap state analysis near the band edge. In addition, a slight nonlinearity that is typically present throughout the 1/C$^{*2}_s$ vs Ψ s plot hinders the accurate estimation of interface trap densities, which is demonstrated for a fabricated n-SiC MOS capacitor device. Methods are suggested to improve quasi-static analysis, including a novel method to determine an approximate integration constant without relying on a linear fitting routine.

42 ENGINEERING↗
DOE OSTI2021

Feed-Forward Compensation for Model Predictive Control in Tri-port Current-Source Medium-Voltage String Inverters for PV-Plus-Storage Farms

The novel tri-port current-source medium-voltage string inverter (TCS-MVSI) is a promising candidate for large-scale PV-plus-storage (PVS) farms owing to its galvanic isolation, easy storage integration, soft-switching capability across entire load range, controlled low dv/dt and EMI, benign fault tolerance, etc. Due to its low inertia feature, traditional PI-based control cannot manage large transients effectively. Instead, a model-based predictive control (MPC) is proposed to achieve robust and stable operation. As is well known, the control performance of MPC is compromised by the sampling and computational delay during implementation significantly, if not well addressed. This paper analyzed and quantified these delays and then proposes feed-forward compensation (FFC) for the MPC method to compensate the delays and the large parameter variations due to the low-inertia nature. In addition, this method also compensates for the high dc-link ripple within each switching cycle, a unique issue for low-inertia converters. Here, the proposed method requires low computational effort, allowing it to be extended for multiple ports. The effectiveness of the proposed method has been validated in experiments. In 10 kW test, the proposed method decreases the average dc-link current by 17%, leading to ~20% conduction losses and ~0.5% increase in converter efficiency. In addition, the peak dc-link current also decreases by 15%, resulting in reduced transformer size. As a result, an increased power density can be achieved with the proposed method. Similar improvements have been observed across the power range from 2 kW to 10 kW.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2021

Decentralized Voltage Control of Large-Scale Distribution System with PVs Based on MADRL

This paper proposes a model-free decentralized control framework for the voltage regulation of large-scale distribution systems through the coordinated control of PV inverters. This is achieved by developing a novel interaction mechanism between the surrogate model and the centralized training and decentralized execution multiagent deep reinforcement learning framework. Specifically, the sparse Gaussian processes regression method is first utilized to develop the surrogate model of the original distribution system for reward calculation during the training stage, where each agent represents a sub-region in the centralized fashion for coordination strategy learning. After that, the learned control rules are used to inform controllers within each sub-region for real-time decisions with only local measurements. Comparative tests among various methods on the EPRI Ckt5 test system demonstrate the effectiveness of the proposed method.

distribution system↗
DOE OSTI2022

Performance Evaluation of Peer-to-Peer Distributed Microgrids Coordination for Voltage Regulation

This paper presents the performance evaluation of a peer-to-peer microgrids coordination algorithm for sub-transmission systems. As distributed energy resources (DERs) in distribution system start to show negative impact to the bulk power system, a paradigm shift is needed for transmission planning and operation. Because distribution substations are located far from the sub-transmission system, and it is hard to use traditional centralized control for real-time control and coordination. Thus, distributed control is a natural choice because it requires less communication and central computation. In this paper, each distribution substation is treated as a microgrid, and the peer-to-peer distributed microgrids control is formulated as a real-time optimal power flow problem to reduce the negative impact in sub-transmission systems. A distributed primal-dual optimization algorithm is adopted to solve the problem. Validation of the peer-to-peer algorithm is performed through the simulation of a real-world sub-transmission system composing of many distribution systems with high renewable penetration. Simulation results show that the peer-to-peer algorithm can achieve satisfactory performance (e.g., voltage regulation) in sub-transmission system by coordinating and controlling DERs in distribution systems.

distributed control↗
DOE OSTI2022

Multi-Fidelity Learning for Distribution System Voltage Probabilistic Analysis with High Penetration of PVs

This paper proposes a multi-fidelity learning approach for distribution voltage probabilistic analysis with high penetration of PVs. Unlike the existing machine learning-based approaches that require a large number of high fidelity data to achieve satisfactory results, our approach strategically leverage massive low fidelity data from inaccurate model simulations and limited high fidelity historical data. The key idea is to use low-fidelity data to establish an initial model and then the high-fidelity data to calibrate and correct the constructed low-fidelity model. This allows us to fuse low- and high-fidelity data, yielding a high fidelity prediction model. Results obtained from a realistic feeder in US with 80% penetration of PVs show that the proposed approach can achieve a similar accuracy to the one with a large number of high fidelity data. This significantly highlights the advantages of the proposed method as compared to existing data-hungry machine learning methods. Different levels of fidelity data and their impacts are also investigated.

distribution system↗
DOE OSTI2021

Interfacial Characterization of Positive Bias Voltage Degradation in PV Modules

Degradation from high system voltage is a prevailing failure mode in fielded photovoltaic modules, and the degradation mechanism is inherently dependent on the bias polarity. Here we report the effects of positive bias. Modules under positive bias demonstrated a significant photocurrent loss caused by two routes. First, delamination and discoloration of the silicon nitride layer, leading to optical loss determined by reflectance measurements. Second, chemical discoloration of the cell gridlines and encapsulant (EVA), which is linked to an electrochemical reaction at the silver electrodes. Chemical compositional analysis using X-ray photoemission spectroscopy demonstrated that the discoloration is attributed to Ag 2 S and/or Ag 2 O. Evidence of Ag ion migration from the cell grid into the encapsulant is observed after shallow depth profiling on the EVA surface. However, Ag was not detected at the EVA/glass interface, inferring limited Ag ion transport through the EVA. The source of sulfur is believed to be ambient air, which diffused into the module through the breathable backsheet.

characterization↗