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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Mechanism-based Representative Volume Elements (RVEs) for Predicting Property Degradations in Multiphase Materials

Quantitative understanding of the evolving thermal-mechanical properties of a multi-phase material hinges upon the availability of quantitative statistically representative microstructure descriptions. Questions then arise as to whether a two-dimensional (2D) or a three-dimensional (3D) representative volume element (RVE) should be considered as the statistically representative microstructure. Although 3D models are more representative than 2D models in general, they are usually computationally expensive and difficult to be reconstructed. In this paper, we evaluate the accuracy of a 2D RVE in predicting the property degradations induced by different degradation mechanisms with the multiphase solid oxide fuel cell (SOFC) anode material as an example. Both 2D and 3D microstructure RVEs of the anodes are adopted to quantify the effects of two different degradation mechanisms: humidity-induced electrochemical degradation and phosphorus poisoning induced structural degradation. The predictions of the 2D model are then compared with the available experimental measurements and the results from the 3D model. It is found that the 2D model, limited by its inability of reproducing the realistic electrical percolation, is unable to accurately predict the degradation of thermo-electrical properties. On the other hand, for the phosphorus poisoning induced structural degradation, both 2D and 3D microstructures yield similar results, indicating that the 2D model is capable of providing computationally efficient yet accurate results for studying the structural degradation within the anodes.

degradation mechanisms↗
NASA NTRS1978

Photoelectrolysis of water at high current density - Use of laser light excitation of semiconductor-based photoelectrochemical cells

In the present paper, some results are given for UV laser light irradiation of the photoanode (SnO2, SrTiO3, or TiO2) in a cell for the light-driven electrolysis of H2O, at radiation intensities of up to 380 W/sq cm. The properties of the anode material are found to be independent of light intensity. Conversion of UV light to stored chemical energy in the form of 2H2/O2 from H2O was driven at a rate of up to 30 W/sq cm. High O2 evolution rates at the irradiated anodes without changes in the current-voltage curves are attributed to the excess oxidizing power associated with photogenerated holes. A test for this sort of hypothesis for H2 evolution at p-type materials is proposed.

Wrighton, M. S.↗
DOE OSTI2018

Imaging of 3D morphological evolution of nanoporous silicon anode in lithium ion battery by X-ray nano-tomography

Nanostructured silicon with its high theoretical capacity and ability to accommodate volume expansion has attracted great attention as a promising anode material for Lithium ion (Li-ion) batteries. Liquid metal dealloying method, is a novel method to create nanoporous silicon (np-Si). The assembled Li-ion batteries based on such np- Si anode can be cycled beyond 1500 cycles, in 1000 mA h/g constant capacity cycling mode with consistent performance; however, it suffers from degradation after ~ 460 cycles, while being cycled under 2000 mA h/g. To reveal the failure mechanism and differences in the morphological evolution in different capacity cycling modes in the np-Si anode, we conducted synchrotron X-ray nano-tomography studies. The three dimensional (3D) morphological evolution was visualized and quantified as a function of the number of cycles and cycling capacities. By comparing the 3D morphology under each cycling condition and correlating these 3D morphological changes with cycling-life performance, we elucidate the failure mechanism of the np-Si electrodes resulting from a mesoscopic to macroscopic deformation, involving volume expansion and gradual delamination. In particular, the shorter cycling life in higher-capacity cycling mode stems from particle agglomeration. Overall, while the nanoporous structure can accommodate the volume expansion locally, these mesoscopic and macroscopic deformations ultimately result in heterogeneous stress distribution with faster delamination. As a result, the work thus sheds the light on the importance to consider the structural evolution at the mesoscopic and macroscopic scales, while designing nano-structured energy storage materials for enhanced performances, particularly for long cycling-life durability.

25 ENERGY STORAGE↗
DOE OSTI2022

Lithium-Ion Battery Materials as Tunable, “Redox Non-Innocent” Catalyst Supports

The development of general strategies for the electronic tuning of a catalyst’s active site is an ongoing challenge in heterogeneous catalysis. To this end, herein, we describe the application of Li-ion battery cathode and anode materials as redox non-innocent catalyst supports that can be continuously modulated as a function of lithium intercalation. A zero-valent nickel complex was oxidatively grafted onto the surface of lithium manganese oxide (Li x Mn 2 O 4 ) to yield isolated Ni2+ occupying the vacant interstitial octahedral site in the Li diffusion channel on the surface and subsurface of the spinel structure (Ni/Li x Mn 2 O 4 ). Additionally, the activity of Ni/Li x Mn 2 O 4 for olefin hydrogenation, as a representative probe reaction, was found to increase monotonically as a function of support reductive lithiation. Simulation of Ni/Li x Mn 2 O 4 reveals the dramatic impact of surface redox states on the viability of the homolytic oxidative addition mechanism for H 2 activation. Catalyst control through support lithiation was extended to an organotantalum complex on Li x TiO 2 , demonstrating the generality of this phenomenon.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

The Quest for Stable Potassium‐Ion Battery Chemistry

Abstract Potassium‐ion batteries (KIBs) have attracted wide interest for energy storage because of the abundance of the electrode materials involved; however, their electrochemical performances are far behind what can be achieved from lithium‐ion batteries (LIBs) or sodium‐ion batteries (SIBs). Herein, key promising electrode and electrolyte materials for potassium‐ion batteries are identified, the coupled electrochemical reactions in the cell are investigated, and the compatibility between different materials is demonstrated to play the most important role. K 2 Mn[Fe(CN) 6 ] cathode can deliver a high capacity of ≈125 mAh g −1 and exceptional cycling stability over 61 000 cycles (≈9 months) if the side reactions from the anode can be prevented. Graphite is a good anode material but is subjected to degradation in traditional carbonate electrolytes. New concentrated electrolytes are developed and evaluated. A stable KIB system is demonstrated by coupling a stable K 2 Mn[Fe(CN) 6 ] cathode, a prepotassiated graphite anode with a concentrated electrolyte to achieve a high energy density of ≈260 Wh kg −1 (based on the active mass of cathode and anode) and good cycling of over 1000 cycles.

Wu, Xianyong↗
DOE OSTI2018

High capacity 3D structured tin-based electroplated Li-ion battery anodes

3D structured porous electrodes have been considered as a possible solution for accommodating the volume change of alloying lithium ion battery anode materials during cycling. However, lab-scale porous electrodes tend to be thin, and the loading of the activity materials is also small, the combination of which results in electrodes with impractically low areal and volumetric capacities. In this work, we develop a high areal and volumetric capacity 3D-structured Sn/C anode by using a two steps electroplating process. An electrode with a 20% v/v Sn loading exhibits a high volumetric/areal capacity of similar to 879 mA h/cm 3 /6.59 mA h/cm 2 after 100 cycles at 0.5 C and a good rate performance of about 750 mA h/cm 3 and 5.5 mA h/cm 2 (delithiation) at 10 C in a half-cell configuration. The 3D Sn/C anode also shows good compatibility with a commercial LCO cathode in a full cell configuration.

25 ENERGY STORAGE↗
DOE OSTI2014

Combustion synthesis of MgFe{sub 2}O{sub 4}/graphene nanocomposite as a high-performance negative electrode for lithium ion batteries

We present a facile and cost-effective urea-assisted auto-combustion method for synthesizing pure MgFe{sub 2}O{sub 4} nanoparticle and MgFe{sub 2}O{sub 4}/graphene nanocomposite samples followed by annealing at 600 °C for 5 h under N{sub 2} atmosphere. The X-ray diffraction pattern confirmed the single phase formation for both samples. The obtained morphology of the nanocomposite sample shows that the MgFe{sub 2}O{sub 4} nanoparticles are highly dispersed on conductive graphene nanosheets with particle size in the range of 50–100 nm. When applied as an anode material, MgFe{sub 2}O{sub 4}/graphene nanocomposite electrode shows a high reversible charge capacity of 764.4 mAh g{sup −1} at 0.04 C over 60 charge/discharge cycles and in spite of that it also retained a capacity of 219.9 mAh g{sup −1} at high current rate of 4.2 C. The obtained result is much better than the synthesized pure MgFe{sub 2}O{sub 4} nanoparticle electrode. The excellent electrochemical performance of the MgFe{sub 2}O{sub 4}/graphene nanocomposite electrode can be attributed to the strong favorable synergistic interaction between MgFe{sub 2}O{sub 4} and reduced graphene nanosheets, which supplied a large number of accessible active sites for Li{sup +}-ion insertion and short diffusion length for both Li{sup +} ions and electrons. In addition, the graphene nanosheets in the nanocomposite electrode provide high conductivity and accommodate the large volume expansion/contraction during cycling, resulting in high capacity and long cycling stability. - Highlights: • MgFe{sub 2}O{sub 4}/graphene nanocomposite was synthesized by facile urea-assisted method. • Such well-designed structure results in fine and strong interfacial interaction. • Nanocomposite anode shows high rate capability and long cycling stability. • Better performance is due to synergistic effect between MgFe{sub 2}O{sub 4} and graphene. • Simple, low cost and fast synthesis is attractive for large scale applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Graphene coating on silicon anodes enabled by thermal surface modification for high-energy lithium-ion batteries

Silicon is a high-energy density anode material for lithium-ion batteries, but it possesses shortcomings such as poor electronic conductivity, interfacial instability and mechanical fracturing that hinder its battery cycling. Carbon coating has been an important strategy for stabilizing silicon anodes, but the effects of the silicon surface properties on carbon coating morphology and the consequent silicon cycling stability have not been clearly elucidated. Herein, we find that thermal oxidation of the silicon anodes followed by chemical vapor deposition of carbonaceous precursors leads to a well-ordered graphene coating, whereas disordered graphite coating is formed on the native silicon surface. Graphene-coated silicon exhibits superior cycling performance, retaining a discharge capacity of ~1300 mAh g -1 after 300 cycles, whereas the disordered graphite-coated silicon suffers continuous degradation, retaining only~600 mAh g -1 after 300 cycles. Cryogenic electron microscopy reveals the mechanism behind the difference in cycling stabilities; graphene coated silicon is able to withstand the large mechanical strains induced during extended cycling, whereas disordered graphite coating is ruptured, exposing silicon surfaces to the electrolyte, leading to extensive buildup of SEI and poor cycling performance. Characterization of the silicon surface reveals that thermal treatment yields an oxygen-rich surface layer, which is hypothesized to play a decisive role in dictating the carbon coating. This work highlights the effect of silicon surface properties on carbon coating microstructure, and presents thermal treatment as a facile avenue to attain graphene coating on silicon anodes.

25 ENERGY STORAGE↗
DOE OSTI2025

A Perspective on Pathways Toward Commercial Sodium‐Ion Batteries

Lithium-ion batteries (LIBs) have been widely adopted in the automotive industry, with an annual global production exceeding 1000 GWh. Despite their success, the escalating demand for LIBs has created concerns on supply chain issues related to key elements, such as lithium, cobalt, and nickel. Sodium-ion batteries (SIBs) are emerging as a promising alternative due to the high abundance and low cost of sodium and other raw materials. Nevertheless, the commercialization of SIBs, particularly for grid storage and automotive applications, faces significant hurdles. This perspective article aims to identify the critical challenges in making SIBs viable from both chemical and techno-economic perspectives. First, a brief comparison of the materials chemistry, working mechanisms, and cost between mainstream LIB systems and prospective SIB systems is provided. The intrinsic challenges of SIBs regarding storage stability, capacity utilization, cycle stability, calendar life, and safe operation of cathode, electrolyte, and anode materials are discussed. Furthermore, issues related to the scalability of material production, materials engineering feasibility, and energy-dense electrode design and fabrication are illustrated. Finally, promising pathways are listed and discussed toward achieving high-energy-density, stable, cost-effective SIBs.

25 ENERGY STORAGE↗
DOE OSTI2020

Progress of 3D network binders in silicon anodes for lithium ion batteries

Prompted by its overwhelming benefits, silicon (Si) has evolved as one of the most promising anode materials for high-capacity lithium-ion batteries (LIBs). However, some of the intrinsic drawbacks such as low ionic conductivity and inevitable volume change during the alloying/dealloying process seriously hamper the commercialization of Si-based anodes in LIBs. Among the several strategies to overcome the challenges of the Si anode, the development of designed polymeric binders is imperative for enabling stable and satisfactory performance. The improved cell performance due to the designed binders is recognized as an economical and practical approach, especially from the industrial perspective. In addition to their conventional role in integrating electrode components, binders also play a significant role in alleviating the unfavorable phenomenon of volume expansion, and ultimately stabilizing the Si anode and Si-electrolyte interphase. The polymer architecture of the binders significantly influences the binder performance, and three-dimensional (3D) network binders are generally more effective at coping with the stress resulting from the huge volume change of the Si anode. To develop advanced 3D binders, substantial research efforts have been made including various crosslinking strategies in the past decade. In this review, we focus on diverse crosslinking methods including chemical-, physical-, and topological-crosslinking for rationally designing network binders for Si anodes and take a glance at dynamic interactions to construct healable binders for long-term stability.

25 ENERGY STORAGE↗
DOE OSTI2015

Type I clathrates as novel silicon anodes: An electrochemical and structural investigation

In this study, silicon clathrates contain cage-like structures that can encapsulate various guest atoms or molecules. Here we present an electrochemical evaluation of type I silicon clathrates based on Ba 8 Al y Si 46-y for the anode material in lithium-ion batteries. Post-cycling characterization with NMR and XRD show no discernible structural or volume changes even after electrochemical insertion of 44 Li into the clathrate structure. The observed properties are in stark contrast with lithiation of other silicon anodes, which become amorphous and suffer from larger volume changes. The lithiation/delithiation processes are proposed to occur in single phase reactions at approximately 0.2 and 0.4 V vs. Li/Li + , respectively, distinct from other diamond cubic or amorphous silicon anodes. Reversible capacities as high as 499 mAh g -1 at a 5 mA g -1 rate were observed for silicon clathrate with composition Ba 8 Al 8.54 S i37.46 , corresponding to Li:Si of 1.18:1. The results show that silicon clathrates could be promising durable anodes for lithium-ion batteries.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Re-Engineering Poly(Acrylic Acid) Binder toward Optimized Electrochemical Performance for Silicon Lithium-Ion Batteries: Branching Architecture Leads to Balanced Properties of Polymeric Binders

Silicon is a promising anode material for lithium-ion batteries with its superior capacity. However, the drastic volume changes during lithiation/delithiation cycles hinder the cycling performance, resulting in particle pulverization, conductivity loss, and an unstable electrode-electrolyte interface. In this work, a series of synthetic polymeric binders, poly(acrylic acid-co-tetra(ethylene glycol) diacrylate)-featuring a poly(acrylic acid) (PAA) backbone branched via tetra(ethylene glycol) diacrylate (TEGDA)-are developed that edge toward evidencing well-balanced properties to confront capacity fading in Si-based electrodes. The incorporation of ether chain not only leads to the branching architecture of the PAA backbone, thus affecting its mechanical properties, but also promotes the conductivity of Li ions. As a result, a synergistic performance improvement is observed in both half and full cells. The best-performing cell using a branched PAA binder (bPAA) with a feeding molar ratio ([TEGDA]:[acrylic acid(AA)]) of 0.2 results in a 10% increase in initial capacity and a 31% increase in capacity retention over 100 cycles compared to the linear PAA cell. The cross-sectional microscopic images of the cycled electrodes reveal that bPAA binders can drastically reduce the electrode expansion. This improvement results from the well-balanced properties of the polymer design, which could guide further development for more advanced binder materials.

25 ENERGY STORAGE↗
DOE OSTI2014

High-performance anode based on porous Co3O4 nanodiscs

In this article, two-dimensional, Co3O4 hexagonal nanodiscs are prepared using a hydrothermal method without surfactants. X-ray diffraction (XRD), scanning electron microscopy (SEM), and transmission electron microscopy (TEM) have been employed to characterize the structural properties. As revealed by the SEM and TEM experiments, the thickness of our as-fabricated Co3O4 hexagonal nanodiscs is about 20 nm, and the pore diameters range from several nanometers to 30 nm. As an anode for lithium-ion batteries, porous Co3O4 nanodiscs exhibit an average discharge voltage of ~1 V (Vs. Li/Li+) and a high specific charge capacity of 1161 mAh g-1 after 100 cycles. They also demonstrate excellent rate performance and high Coloumbic efficiency at various rates. These results indicate that porous Co3O4 nanodiscs are good candidates as anode materials for lithium-ion batteries.

anode↗
DOE OSTI2018

Mitigating the initial capacity loss and improving the cycling stability of silicon monoxide using Li 5 FeO 4

Silicon monoxide (SiO) is a promising next-generation anode material for lithium-ion batteries due to the high capacity it offers. However, such material also exhibits a large initial capacity loss which results in significant loss of Li inventory to irreversible reactions in a full cell. To mitigate the Li inventory loss due to the initial capacity loss of the SiO anode, a prelithiation reagent, Li 5 FeO 4 , is added to the LiNi 0.5 Co 0.2 Mn 0.3 O 2 (NCM523) cathode, which is then paired with a SiO anode for electrochemical evaluation. The addition of Li 5 FeO 4 leads to a significant 22% improvement in lithium utilization in NCM523. Furthermore, the capacity retention of the full cell increased from 90.94% to 98.92% for 50 cycles. We then further studied the impact of Li 5 FeO 4 addition on the energy density of the cell via modeling. In order to maximize the energy density improvement, thicker electrodes need to be utilized.

25 ENERGY STORAGE↗
DOE OSTI2024

Phenolic Resin Derived Hard Carbon Anode for Sodium-Ion Batteries: A Review

Sodium-ion batteries are complementary to lithium-ion batteries for grid-scale energy storage applications due to lower cost, safety, and potential for sustainable supply chains. The past decade has witnessed enormous research efforts in developing hard carbon anode materials for sodium-ion batteries. Phenolic resins have received significant attention as hard carbon precursors due to their high carbon yield, highly cross-linked structure, low cost, mature technology, and excellent electrochemical performance of corresponding hard carbon anode. This Review exclusively highlights the state-of-the-art preparation of hard carbon from phenolic resins, and the electrochemical performance in sodium-ion batteries. Cross-linked resins are prepared from three phenolic monomers (phenol, resorcinol, and phloroglucinol) to produce hard carbon. The effects of carbonization temperature on the microstructure, and electrochemical properties of hard carbon have been summarized here. Hard carbon formation, and sodium storage mechanisms have been briefly outlined. Finally, this Review provides an industrial perspective on hard carbon production at scale.

aromatic compounds↗