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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Is Clean Hydrogen Production a Good Fit for Questa? Final Economic Impact Results

The Village of Questa, New Mexico is aiming to become a regional clean energy hub with robust and diverse employment opportunities for the local community supported by the energy sector and by other businesses inspired or attracted by abundant clean energy, outdoor recreation, and cultural opportunities. A coalition of stakeholders in the Village of Questa, comprising the Village, Kit Carson Electric Cooperative (KCEC), Questa Economic Development Fund, and Chevron, is exploring options to develop hydrogen production facilities as an opportunity to create jobs, provide reliable clean energy, and utilize former mine resources. Questa is home to a molybdenum mine owned by Chevron that closed in 2014. Several residents in Questa and surrounding communities lost their jobs when the mine closed and transitioned from active operations into environmental remediation. Although remediation efforts have been ongoing since 2014 and are expected to continue for at least 16 more years, the number of jobs with Chevron is much smaller now than it was before the closure. Between available workforce, brownfield land, and water rights formerly supporting mine operations but now in a transition period, there are considerable local resources that could be directed toward clean energy generation. Questa's electricity supply is already 100% solar during daylight hours thanks to Kit Carson Electric Cooperative's (KCEC's) strategic decision-making and partnering over the last decade. Now, Questa, KCEC, and Chevron are exploring the potential costs and benefits of siting an electrolytic hydrogen production facility and additional solar photovoltaic (PV) capacity in Questa to further advance the region's clean energy economy. In this report, we estimated the potential economic impacts (i.e., jobs, value added, gross output, tax revenue) of constructing and operating a combined hydrogen (32 MW polymer electrolyte membrane electrolizer + 7.5 MW fuel cell) and solar facility (22.5 MW) in the Village of Questa, as well as the resulting economic spillovers to Taos County and the state of New Mexico. We employ an input-output model that leverages IMPLAN's economic data for the region complemented by construction and operating expenses estimated by NREL and feedback from the local coalition to evaluate the direct, indirect and induced effects of the project construction (transient impacts) and operation (more permanent impacts). Based on the area's average trade profile, feedback from the coalition and current market conditions, these projects are expected to support 487 full-time equivalent jobs during construction, generating $\$24$ million in income for those workers and $\$82$ million in local economic activity in the state. Of those jobs, 106 are expected to be construction sector jobs. These investments are also estimated to add $\$36.5$ million to New Mexico's gross state product (GSP). In the Village of Questa, we estimate 16 jobs will be supported in construction and transportation industries, generating $\$0.9$ million in earnings. In Taos County, the construction phase is expected to support 285 jobs primarily in construction and professional services, while manufacturing jobs dominate the results for the Rest of New Mexico. The Village is also estimated to receive $\$0.9$ million in tax revenue from the construction phase alone. Once in operation, the project continues to impact the state and Questa. Around 20 jobs (full-time equivalent for each year of operation) are supported across New Mexico, with approximately 11 directly employed in Questa by both facilities. The total annual local economic activity supported by ongoing operations is just over $\$1.3$ million/yr, generating $\$1.6$ million/yr in additional income in the state. Annual operations are estimated to add $\$2.1$ million to the state's GSP. The Village is expected to receive around $\$43,000$/yr in tax revenue. Impacts vary significantly depending on which businesses are supplying materials, equipment and services, and where construction workers reside. Choosing local suppliers will most benefit Questa and the New Mexico economy, adding up to 500 jobs during construction and 13 long-term jobs. Local and state governments may consider ways to incentivize local businesses in order to maximize economic benefits.

08 HYDROGEN↗
DOE OSTI2022

Dicyanobenzothiadiazole (DCBT) Organic Dye as a Visible Light Absorbing Strong Photoinduced Oxidant with a 16 Microsecond Long–Lived Excited State

Strong photoinduced oxidants are important to organic synthesis and solar energy conversion, to chemical fuels or electric. For these applications, visible light absorption is important to solar energy conversion and long–lived excited states are needed to drive catalysis. With respect to these desirable qualities, a series of five 5,6–dicyano[2,1,3]benzothiadiazole (DCBT) dyes are examined as organic chromophores that can serve as strong photooxidants in catalytic systems. The series utilizes a DCBT core with aryl groups on the periphery with varying electron donation strengths relative to the core. The dyes are studied via both steady–state and transient absorption and emission studies. Additionally, computational analysis, voltammetry, crystallography, and absorption spectroelectrochemistry are also used to better understand the behavior of these dyes. Ultimately, a strong photooxidant is arrived at with an exceptionally long excited state lifetime for an organic chromophore of 16 µs. Finally, the long–lived excited state photosensitizer is well–suited for use in catalysis, and visible light driven photosensitized water oxidation is demonstrated using a water–soluble photosensitizer.

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

The Future of Renewable Energy Transmission: An Autonomous Energy Grid

The drastic price reduction in variable renewable energy, such as wind and solar, coupled with the ease of use of smart technologies at the consumer level, is driving dramatic changes to the power system that will significantly transform how power is made, delivered, and used. Distributed energy resources (DERs)—which can include solar photovoltaic (PV), fuel cells, microturbines, gensets, distributed energy storage (e.g., batteries, ice storage), and new loads (e.g., electric vehicles (EVs), light-emitting diode (LED) lighting, smart appliances, and electric heat pumps)—are being added to electric grids and causing bidirectional power flows and voltage fluctuations that can impact optimal control and system operation. Residential solar installations, customer battery systems, and EVs are all seeing rapid increases in deployments. With DER seeing such increased use, it is not unreasonable to imagine a residential electricity customer having at least five controllable DERs. In future electric grids, as more DERs are integrated, the number of active control points will be too much for current control approaches to effectively manage.

30 DIRECT ENERGY CONVERSION↗
NASA NTRS2014

Novel Materials, Processing and Device Technologies for Space Exploration with Potential Dual-Use Applications

We highlight results of a broad spectrum of efforts on lower-temperature processing of nanomaterials, novel approaches to energy conversion, and environmentally rugged devices. Solution-processed quantum dots of copper indium chalcogenide semiconductors and multiwalled carbon nanotubes from lower-temperature spray pyrolysis are enabled by novel (precursor) chemistry. Metal-doped zinc oxide (ZnO) nanostructured components of photovoltaic cells have been grown in solution at low temperature on a conductive indium tin oxide substrate. Arrays of ZnO nanorods can be templated and decorated with various semiconductor and metallic nanoparticles. Utilizing ZnO in a more broadly defined energy conversion sense as photocatalysts, unwanted organic waste materials can potentially be repurposed. Current efforts on charge carrier dynamics in nanoscale electrode architectures used in photoelectrochemical cells for generating solar electricity and fuels are described. The objective is to develop oxide nanowire-based electrode architectures that exhibit improved charge separation, charge collection and allow for efficient light absorption. Investigation of the charge carrier transport and recombination properties of the electrodes will aid in the understanding of how nanowire architectures improve performance of electrodes for dye-sensitized solar cells. Nanomaterials can be incorporated in a number of advanced higher-performance (i.e. mass specific power) photovoltaic arrays. Advanced technologies for the deposition of 4H-silicon carbide are described. The use of novel precursors, advanced processing, and process studies, including modeling are discussed from the perspective of enhancing the performance of this promising material for enabling technologies such as solar electric propulsion. Potential impact(s) of these technologies for a variety of aerospace applications are highlighted throughout. Finally, examples are given of technologies with potential spin-offs for dual-use or terrestrial applications.

solid state devices↗
NASA NTRS2015

Novel Materials, Processing, and Device Technologies for Space Exploration with Potential Dual-Use Applications

We highlight results of a broad spectrum of efforts on lower-temperature processing of nanomaterials, novel approaches to energy conversion, and environmentally rugged devices. Solution-processed quantum dots of copper indium chalcogenide semiconductors and multi-walled carbon nanotubes from lower-temperature spray pyrolysis are enabled by novel (precursor) chemistry. Metal-doped zinc oxide (ZnO) nanostructured components of photovoltaic cells have been grown in solution at low temperature on a conductive indium tin oxide substrate. Arrays of ZnO nanorods can be templated and decorated with various semiconductor and metallic nanoparticles. Utilizing ZnO in a more broadly defined energy conversion sense as photocatalysts, unwanted organic waste materials can potentially be re-purposed. Current efforts on charge carrier dynamics in nanoscale electrode architectures used in photoelectrochemical cells for generating solar electricity and fuels are described. The objective is to develop oxide nanowire-based electrode architectures that exhibit improved charge separation, charge collection and allow for efficient light absorption. Investigation of the charge carrier transport and recombination properties of the electrodes will aid in the understanding of how nanowire architectures improve performance of electrodes for dye-sensitized solar cells. Nanomaterials can be incorporated in a number of advanced higher-performance (i.e. mass specific power) photovoltaic arrays. Advanced technologies for the deposition of 4H-silicon carbide are described. The use of novel precursors, advanced processing, and process studies, including modeling are discussed from the perspective of enhancing the performance of this promising material for enabling technologies such as solar electric propulsion. Potential impact(s) of these technologies for a variety of aerospace applications are highlighted throughout. Finally, examples are given of technologies with potential spin-offs for dual-use or terrestrial applications.

thin films↗
DOE OSTI2020

Surface photovoltage spectroscopy observes junctions and carrier separation in gallium nitride nanowire arrays for overall water-splitting

Gallium nitride (GaN) nanowire arrays on silicon are able to drive the overall water-splitting reaction with up to 3.3% solar-to-hydrogen efficiency. Photochemical charge separation is key to the operation of these devices, but details are difficult to observe experimentally because of the number of components and interfaces. Here, we use surface photovoltage spectroscopy to study charge transfer in i-, n-, and p-GaN nanowire arrays on n+ -Si wafers in the presence and absence of Rh/Cr 2 O 3 co-catalysts. The effect of the space charge layer and sub-bandgap defects on majority and minority carrier transport can be clearly observed, and estimates of the built-in potential of the junctions can be made. Transient illumination of the p-GaN/n + -Si junction generates up to -1.4 V surface photovoltage by carrier separation along the GaN nanowire axis. This process is central to the overall water-splitting function of the n + -Si/p-GaN/Rh/Cr 2 O 3 nanowire array. Overall, these results improve our understanding of photochemical charge transfer and separation in group III–V semiconductor nanostructures for the conversion of solar energy into fuels.

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

Air-stable, earth-abundant molten chlorides and corrosion-resistant containment for chemically-robust, high-temperature thermal energy storage for concentrated solar power

A dramatic reduction in man-made CO 2 emissions could be achieved if the cost of electricity generated from concentrated solar power (CSP) plants could become competitive with fossil-fuel-derived electricity. The solar heat-to-electricity conversion efficiency of CSP plants may be significantly increased (and the associated electricity cost decreased) by operating CSP turbines with inlet temperatures ≥750 °C instead of ≤550 °C, and by using thermal energy storage (TES) at ≥750 °C to allow for rapidly dispatchable and/or continuous electricity production. Unfortunately, earth-abundant MgCl 2 -KCl-based liquids currently being considered as low-cost media for large-scale, high-temperature TES are susceptible to oxidation in ambient air, with associated undesired changes in liquid composition and enhanced corrosion of metal alloys in pipes and tanks containing such liquids. In this paper, alternative high-temperature, earth-abundant molten chlorides that are resistant to oxidation in ambient air are identified via thermodynamic calculations. Here, the oxidation resistance, and corrosion-resistant containment, of such molten chlorides at 750 °C are then demonstrated. Such an air-tolerant strategy, involving chemically-robust, low-cost TES media paired with effective containment materials, provides a critical advance towards the higher-temperature operation of, and lower-cost electricity generation from, CSP plants.

14 SOLAR ENERGY↗
DOE OSTI2025

Southcentral/Upper-West Combined Heat and Power Technical Assistance Partnership

This Final Technical Report describes the successful completion of all project tasks under award DE-EE0008272, plus three additional deliverables, all completed within the original budget. Our objective was to position CHP as a key driver of American competitiveness, the strategic use of domestic energy resources, and enhanced energy resilience. This vision was pursued through sustained collaboration with a broad range of public and private stakeholders, including manufacturers, commercial and institutional facilities, state and federal agencies, and associations of end-users, among others.

03 NATURAL GAS↗
NASA NTRS2016

An Overview of Power, Energy Storage, and Conversion Efforts for 2014 SBIR Phases I and II

Technological innovation is the overall focus of NASA's Small Business Innovation Research (SBIR) program. The program invests in the development of innovative concepts and technologies to help NASA's mission directorates address critical research and development needs for agency projects. NASA's Small Business Innovation Research (SBIR) program focuses on technological innovation by investing in development of innovative concepts and technologies to help NASA mission directorates address critical research needs for Agency programs. This report highlights 15 of the innovative SBIR 2014 Phase I and II projects that focus on one of NASA Glenn Research Center's six core competencies-Power, Energy Storage and Conversion. The technologies cover a wide spectrum of applications such as high-radiation-tolerant ceramic voltage isolators, development of hermetic sealing glasses for solid oxide fuel cells, rechargeable lithium metal cells, high-efficiency direct methane solid oxide fuel cell systems, Li metal protection for high-energy space batteries, isolated bidirectional direct current converters for distributed battery energy applications, and high-efficiency rad-hard ultrathin Si photovoltaic cell technology for space. Each article describes an innovation and technical objective and highlights NASA commercial and industrial applications. This report provides an opportunity for NASA engineers, researchers, and program managers to learn how NASA SBIR technologies could help their programs and projects, and lead to collaborations and partnerships between the small SBIR companies and NASA that would benefit both.

flywheels↗
DOE OSTI2024

Final Technical Report

The capture of CO2 and its simultaneously conversion to useful chemical fuels driven by solar energy represents one of the best solutions to resolve our growing energy and environmental concerns. The most critical challenge to this endeavor is the rational design of a photocatalytic architecture that can effectively couple a given photosensitizer (PS) with an appropriate catalyst, thereby enabling efficient photosensitization of a multi-electron reduction catalysis. This research program aims to address this challenge using an interdisciplinary approach that combines innovative material design and synthesis, fundamental mechanistic studies, and photocatalytic performance evaluation. The strategies include 1) constructing and investigating a novel class of 2D COF hybrid photocatalysts with an effective photoactive organic building block as PS and a precisely incorporated CO2 reduction molecular catalyst (MC); and 2) mechanistic origins of CO2 photoreduction using a set of complementary time-resolved and in situ spectroscopic techniques. The novelty of the proposed hybrid system lies in the unprecedented combination of the unique advantage of porous crystalline COF PS with the precise catalytic function of MC for photocatalytic CO2 reduction. In the periods of the support (09/01/2019-12/31/2022), we have made research progress in four projects: 1) Exploring 2D COFs with incorporated Mn complex for light driven CO2 reduction; 2) The dependence of excited state and charge transfer dynamics on monomer structure of 2D COFs; and 3) Control over Charge Separation by Imine Structural Isomerization in Covalent Organic Frameworks with Implications on CO2 Photoreduction; and 4) The impact of monomer structure on the photoluminescence properties of COFs. We found that both monomer structure and linker chemistry can effectively impact the excited state dynamics, charge transfer properties, and photoluminescence quantum yields, the important properties that dictate their applications in photocatalysis. In addition, we found that the direction of imine linker determines charge transfer direction and thus controls the types of catalytic reactions (e.g. water oxidation or CO2 reduction reactions). The result from these fundamental studies provides important information for correlating the structure of the COF photocatalysts with their photophysical properties and catalytic functions, paving the way for their novel application in photocatalysis. We expect that our findings will contribute to addressing current shortcomings of semiconductor- and molecular-based photocatalytic systems that suffer from inefficient light harvesting and charge separation and poor adsorption and activation of reactants. In turn, this research will contribute towards the development of novel photocatalytic systems for CO2 reduction to generate renewable chemical fuels and simultaneously address the problem of mitigating climate change due to CO2 accumulation. In addition, the experimental approaches employed in this research can be easily transferred to other energy technologies and are expected to broadly impact fields involving photocatalysis, optoelectronic devices, and solar energy conversion. The proposed research has also been integrated with educational activities and serve as a basis to raise awareness around the critical issues of global energy production and consumption, and to develop the next generation of solar energy scientists.

14 SOLAR ENERGY↗
DOE OSTI2021

Direct Observation of Photoexcited Charge Carrier Dynamics and Electrostatic Fields at Photocatalytic Semiconductor/liquid Interfaces

Photoelectrochemical conversion of solar energy to fuels at semiconductor-liquid interfaces involves a complex set of processes, which include band bending, built-in electric fields, surface recombination of photoexcited carriers, and ultimately charge transfer to the ions in solution, in which the electrostatic fields within the depletion region of the semiconductor plays an important role. There are loss mechanisms associated with each of these key components in the overall photoelectrochemical conversion efficiency. Direct probe of these elementary processes is key to the rational improvement of photoeletrochemical cells and electrodes. In this collaborative project, Tianquan Lian at Emory University, Steve Cronin at University of Southern California and their students and postdoctoral fellows carried out a series of studies that are aimed at direct observation of photoexcited charge carrier dynamics at photocatalytic semiconductor/liquid interfaces. The collaborative work led to the development of transient reflectance spectroscopy as a tool for in situ probing of carrier dynamics in planar photoelectrode/electrode interface; and the demonstration that this tool can be used to study oxide protected GaP to identify key efficiency limiting factors in these photoelectrodes. This work has led to the development a tool for in situ probing of carrier dynamics in planar photoelectrodes, which will facilitate the mechanistic study of photoelectrochemical cells. This work informs the development of better photoelectrode materials for solar water splitting and CO 2 reduction. This work has contributed to the training of three PhD students in the area of photoelectrochemistry, ultrafast spectroscopy and solar energy conversion

14 SOLAR ENERGY↗
DOE OSTI2020

Characterizing electronic and atomic structures for amorphous and molecular metal oxide catalysts at functional interfaces by combining soft X-ray spectroscopy and high-energy X-ray scattering

Amorphous thin film materials and heterogenized molecular catalysts supported on electrode and other functional interfaces are widely investigated as promising catalyst formats for applications in solar and electrochemical fuels catalysis. However the amorphous character of these catalysts and the complexity of the interfacial architectures that merge charge transport properties of electrode and semiconductor supports with discrete sites for multi-step catalysis poses challenges for probing mechanisms that activate and tune sites for catalysis. This minireview discusses advances in soft X-ray spectroscopy and high-energy X-ray scattering that provide opportunities to resolve interfacial electronic and atomic structures, respectively, that are linked to catalysis. This review discusses how these techniques can be partnered with advances in nanostructured interface synthesis for combined soft X-ray spectroscopy and high-energy X-ray scattering analyses of thin film and heterogenized molecular catalysts. Further, these combined approaches enable opportunities for the characterization of both electronic and atomic structures underlying fundamental catalytic function, and that can be applied under conditions relevant to device applications.

14 SOLAR ENERGY↗
DOE OSTI2022

Nanoscale Measurements of Charge Transfer at Cocatalyst/Semiconductor Interfaces in BiVO 4 Particle Photocatalysts

Semiconductor photocatalyst particles convert solar energy to fuels like H 2 . The particles are often assumed to provide crystalline-facet-dependent electron-hole separation. A common strategy is to deposit HER electrocatalyst on electron-selective facets and OER electrocatalyst on hole-selective facets. A precise understanding of how charge-carrier-selective contacts emerges and how they rationally designed, however, is missing. Using a combination of ex-situ and in-situ conducting-AFM experiments and new ionomer/catalyst-semiconductor test structures, we show how heterogeneity in charge-carrier selectivity can be measured at the nanoscale. We discover that the presence of interface water/electrolyte is critical to induce hole selectivity between the CoO x water-oxidation catalyst and the BiVO 4 light absorber. pH-dependent measurements suggest that negative surface charge on the semiconductor is central to inducing hole selectivity. Furthermore, the work also demonstrates a new approach to control local pH and introduce water using thin-film ionomers compatible with conductive-AFM measurements.

14 SOLAR ENERGY↗
DOE OSTI2021

Roadmap for Sustainable Mixed Ionic–Electronic Conducting Membranes

Mixed ionic-electronic conducting (MIEC) membranes have gained growing interest recently for various promising environmental and energy applications, such as H 2 and O 2 production, CO 2 reduction, O 2 and H 2 separation, CO 2 separation, membrane reactors for production of chemicals, cathode development for solid oxide fuel cells, solar-driven evaporation and energy-saving regeneration as well as electrolyzer cells for power-to-X technologies. The purpose of this roadmap, written by international specialists in their fields, is to present a snapshot of the state-of-the-art, and provide opinions on the future challenges and opportunities in this complex multidisciplinary research field. As the fundamentals of using MIEC membranes for various applications become increasingly challenging tasks, particularly in view of the growing interdisciplinary nature of this field, a better understanding of the underlying physical and chemical processes is also crucial to enable the career advancement of the next generation of researchers. As an integrated and combined article, it is hoped that this roadmap, covering all these aspects, will be informative to support further progress in academics as well as in the industry-oriented research toward commercialization of MIEC membranes for different applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Investigations of water/oxide interfaces by molecular dynamics simulations

Water/oxide interfaces are ubiquitous on earth and show significant influence on many chemical processes. For example, understanding water and solute adsorption as well as catalytic water splitting can help build better fuel cells and solar cells to overcome our looming energy crisis; the interaction between biomolecules and water/oxide interfaces is one hypothesis to explain the origin of life. However, knowledge in this area is still limited due to the difficulty of studying water/solid interfaces. As a result, research using increasingly sophisticated experimental techniques and computational simulations has been carried out in recent years. Although it is difficult for experimental techniques to provide detailed microscopic structural information, molecular dynamics (MD) simulations have satisfactory performance. In this report, we discuss classical and ab initio MD simulations of water/oxide interfaces. Generally, we are interested in the following questions: How do solid surfaces perturb interfacial water structure? How do interfacial water molecules and adsorbed solutes affect solid surfaces and how do interfacial environments affect solvent and solute behavior? Finally, we discuss progress in the application of neural network potential based MD simulations, which offer a promising future because this approach has already enabled ab initio level accuracy for very large systems and long trajectories.

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

Techno-economic and environmental assessment of solar-based electrical vehicles charging stations integrated with hydrogen production

With the growing interest in adopting both commercial and residential electric vehicles (EVs) utilizing green renewable energy, the techno-economic assessment of EV charging stations with solar energy is a critical aspect of the transition to sustainable transportation. However, battery storage capacity for variable solar energy production is becoming increasingly less cost-effective due to the higher Lithium price. Complementing solar energy production and battery storage, the potential of combining green hydrogen fuel energy integration with solar energy for EV charging stations can provide a sustainable alternative to reach carbon-free transportation. This research aims to assess the technical and economic viability of grid-connected Photovoltaic (PV)-based EV charging stations across Kentucky based on existing EV load profiles. The study considers different PV system sizes, locations, orientations, and the impact of net metering policies and electricity tariffs on the profitability of the PV systems. Further, using excess PV energy, Lithium-Ion batteries will be charged, which will be assessed considering the techno-economic and environmental impacts of green EV charging stations. To further enhance green renewable energy production, we also investigated the feasibility of on-grid PV-based EV charging stations with Lithium-Ion batteries charged during low tariff periods. In comparison with these scenarios, we studied the potential benefits of integrating green hydrogen energy production using excess solar energy with and without governmental incentives. Furthermore, we assess the environmental impact of these green EV charging stations across Kentucky. Our study indicates that EV stations across Kentucky have similar techno-economic feasibility with insignificant deviation in the levelized cost of electricity, payback period, and PV energy fraction with/without Li-Ion batteries. However, with green hydrogen production, the marginal H 2 production cost indicates the first scenario (on-grid PV energy charging) is the most significant, roughly 10 USD/Kg, which is similar to 1.5 times higher than the second (charging during low-tariff periods) and the third scenarios (power grid to satisfy the demand deficit - approximately 6.5 USD/Kg). From the environmental perspective, the second scenario would be a good option for either hybrid EV/H 2 or EV charging stations in Kentucky, factoring in the hydrogen production cost and the carbon footprint.

08 HYDROGEN↗
DOE OSTI2022

Vacancy Control in TiNb 2 O 7 : Implications for Energy Applications

Rapid global electrification, including for transportation, has dramatically increased demand for long-lasting and faster-charging batteries. Titanium niobium oxide (TiNb 2 O 7 ) is one of the most promising anode materials for high-power lithium-ion batteries (LIBs). However, the intrinsic low electronic conductivity of TiNb 2 O 7 is a significant drawback. Herein, an almost 10 orders of magnitude increase in conductivity is achieved via reduction of TiNb 2 O 7 in H 2 at 900 °C. The observed dramatic increase in electron conductivity upon reduction is unprecedented and opens new possibilities to produce niobium-based conductive materials for next-generation energy storage. Upon extended reduction, TiNb 2 O 7 converts into a distorted rutile TiNb 2 O 6 structure, which can be reoxidized back into the crystallographic shear phase. In addition, TiNb 2 O 7 can be thermally reduced in an inert atmosphere and reoxidized by CO 2 with excellent oxygen exchange capacity. Thus, the TiNb 2 O 7 Wadsley–Roth phase demonstrates outstanding potential for solar-driven thermochemical CO 2 splitting at 1400 °C. In conclusion, these findings manifest that controlling defect chemistry paves the way for developing advanced materials for LIBs and solar-driven thermochemical fuel production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗