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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 685 records · Page 38

Mechanistic understanding of support effect on the activity and selectivity of indium oxide catalysts for CO 2 hydrogenation

Herein we present a mechanistic study on the support effect (ZrO 2 and CeO 2 ) of In 2 O 3 catalysts in CO 2 hydrogenation by a combined experimental and computational approach. Kinetic experiments and surface characterization suggested that the activity of In 2 O 3 catalysts cannot be simply correlated with the abundance of surface oxygen vacancies (O v ) formed by either H 2 -reduction or thermal treatment, which has been frequently invoked in previous studies. The support effect should originate from the electronic interactions between In 2 O 3 and the support oxide, rather than geometric factors or the difference in the particle size of In 2 O 3 . Theoretical modelling revealed that surface O v facilitate the formation and stabilization of the formate (HCOO*) intermediate. While a carbonate-like structure is favored for CO 2 adsorption on CeO 2 -supported or unsupported In 2 O 3 catalysts, CO 2 tends to bind strongly in a bent configuration on the O v site at the In 2 O 3 -ZrO 2 interface. The distinct CO 2 adsorption structures on different supported In 2 O 3 catalysts may account for the different reaction energy profiles in the subsequent hydrogenation reactions, especially the rate-limiting step, i.e., hydrogenation of HCOO* to CH 2 O* and methoxy (CH 3 O*). The relatively higher methanol selectivity of In 2 O 3 catalyst supported on ZrO 2 with respect to that on CeO 2 are suggested to stem from the greater energy difference (Δ$E_a$) between the parallel hydrogenation and C-O bond cleavage of HCOO*, which leads to the formation of methanol and CO, respectively. We report this study underlines the important role of metal-oxide-interface in determining the catalytic behavior of oxide-supported In 2 O 3 catalysts in CO 2 conversion.

30 DIRECT ENERGY CONVERSION↗

Interfacial and Transport Property Measurements of Liquid Sodium within a Porous Structure

The sodium thermal electrochemical converter (Na-TEC) is a heat engine that generates electricity via the isothermal expansion of sodium ions through a beta”-alumina solid-electrolyte. The transfer of liquid sodium from a low-pressure condenser to a high-pressure evaporator is necessary to complete the thermodynamic cycle for this conversion process. A unique sodium capillary pump for the Na-TEC is proposed, whereby low-pressure sodium vapor is condensed within a non-wetting (i.e. contact angle > π/2) porous sample. The curvature created at this non-wetting condensation interface supplies a directed force upon the liquid sodium that effectively “pushes” it towards a high pressure region, rather than a traditional capillary wick that “pulls” the liquid. Porous structures made of stainless steel 316 are commercially available, and this material is non-wetting to sodium at the relevant temperature range of the Na-TEC condenser (500K – 673K). An experimental set-up is used to measure several interfacial and transport properties of the condensed sodium within this porous structure. These properties include the temperature dependent Laplace pressure generated at the phase change interface and the permeability of the porous structure. For the former, liquid sodium is in contact with the porous structure and is progressively pressurized with argon gas in increments of ~ 5 kPa until the sodium “breaks through” and the liquid begins to flow. This breakthrough pressure is determined when electrical contact is established between the flowing liquid metal and a set of electrodes cemented into the flow path. The velocity of the flowing sodium can also be measured with these electrodes, and the permeability is then determined by fitting velocity data to the classical Darcy law. Statistically significant results of these measurements, taken at multiple sodium temperatures, are presented. Furthermore, contact angle measurements of sessile sodium drops on stainless steel 316 are demonstrated. This contact angle information is used to define an effective pore radius for the porous structure, which is then validated with microscopy. All the physical parameters described herein are used as inputs in a condensation model to predict the mass flowrate of condensing sodium under a given pressure gradient across the porous structure. This condensation model is used to design the capillary pump for the Na-TEC.

14 SOLAR ENERGY↗

Analysis of Platooning Trucks to Better Understand Dynamic Air Flow

Track testing has shown significant fuel-savings promise for truck platooning strategies but also raised unexpected questions about close following and long-distance following scenarios that could significantly impact savings realized in real-world conditions. The 2017 track test collaboration among NREL, Lawrence Berkeley National Laboratory, NRC Canada, Transport Canada, and others included onboard instrumentation to help the team gain a deeper understanding of the dynamic interaction between multiple vehicles. NREL's approach includes detailed data analysis for additional onboard sensors and J1939 CAN bus data from 2017 track test to investigate following truck air flow and turbulence changes to explain reduced savings at close following distances for the last vehicle in a platoon, define engine-cooling impacts of platooning position in different formations due to reduction of ram air through front grill and generate an understanding of a true in-use "baseline" with other vehicles on the highway. Initial data analysis indicates many of the data trends in wind angle, wind speed, and temperatures show a change in pattern for the closer following distances where fuel savings decrease for the following vehicles was also documented. This is encouraging in that the planned further analysis may yield the desired insights into the cause of the reduced savings. Once analyzed, light-duty vehicle and dynamic scenarios will help us refine the sensitivity of findings from the standard platooning scenarios.

30 DIRECT ENERGY CONVERSION↗

Systematic approach of nanoparticle design to enhance the broadband plasmonic scattering effect

To overcome low conversion efficiency of thin film solar cells, using the localized surface plasmon effect caused by the interaction between the incident beam and metallic nanoparticles inserted in or on the absorbing layer can be a promising alternative to overcome the low efficiency problem. Detail shape and size of nanoparticles are directly related with the localized surface plasmon effect as well as optical properties; however, their detail shape and size are hard to be determined depending only on the theoretical or experimental approach. Therefore, the method focusing on defining structural boundaries would be a useful method for nano or microscale design to generate simple and clear shape. In this study, we adopted the structural optimization scheme based on the phase field method to determine the optimal shape of a silver (Ag) nanoparticle positioned on the upper surface of the absorbing layer. We carried out the design process for broadband wavelength to be taken into account and verified the plasmonic scattering effect enhancement in the absorbing layer by numerical simulations.

30 DIRECT ENERGY CONVERSION↗

Production of Bioproducts from Electrochemically-Generated C1 Intermediates

The overarching objective of the project was to develop an integrated process that converts carbon dioxide (CO 2 ) into the platform chemical isopropanol (IPA) using a combination of two key technologies: CO 2 electrolysis and gas fermentation. The final goal was to demonstrate the full process at bench scale with a minimum carbon conversion efficiency of 37% and to evaluate the economics and environmental impact of scaling up the electrochemical-biochemical process.

30 DIRECT ENERGY CONVERSION↗

Test Results From a Direct Drive Gas Reactor Simulator Coupled to a Brayton Power Conversion Unit

The Brayton Power Conversion Unit (BPCU) located at NASA Glenn Research Center (GRC) in Cleveland, OH is a closed cycle system incorporating a turboaltemator, recuperator, and gas cooler connected by gas ducts to an external gas heater. For this series of tests, the BPCU was modified by replacing the gas heater with the Direct Drive Gas heater or DOG. The DOG uses electric resistance heaters to simulate a fast spectrum nuclear reactor similar to those proposed for space power applications. The combined system thermal transient behavior was the focus of these tests. The BPCU was operated at various steady state points. At each point it was subjected to transient changes involving shaft rotational speed or DOG electrical input. This paper outlines the changes made to the test unit and describes the testing that took place along with the test results.

Hervol, David S.↗

Recent developments in high-temperature photonic crystals for energy conversion

After decades of intense studies focused on cryogenic and room temperature nanophotonics, scientific interest is furthermore growing in high-temperature nanophotonics aimed at solid-state energy conversion. These latest extensive research efforts are spurred by a renewed interest in high temperature thermal-to-electrical energy conversion schemes including thermophotovoltaics (TPV), solar–thermophotovoltaics, solar–thermal, and solar–thermochemical energy conversion systems. This field is profiting tremendously from the outstanding degree of control over the thermal emission properties that can be achieved with nanoscale photonic materials. The key to obtaining high efficiency in this class of high temperature energy conversion is the spectral and angular matching of the radiation properties of an emitter to those of an absorber. Together with the achievements in the field of high-performance narrow bandgap photovoltaic cells, the ability to tailor the radiation properties of thermal emitters and absorbers using nanophotonics facilitates a route to achieving the impressive efficiencies predicted by theoretical studies. In this review, we will discuss the possibilities of emission tailoring by nanophotonics in the light of high temperature thermal-to-electrical energy conversion applications, and give a brief introduction to the field of TPV. We will demonstrate how a class of large area 2D metallic photonic crystals can be designed and employed to efficiently control and tailor the spectral and angular emission properties, paving the way towards new and highly efficient thermophotovoltaic systems and enabling other energy conversion schemes based on high-performance high-temperature nanoscale photonic materials.

30 DIRECT ENERGY CONVERSION↗

Rapid thermal annealed Molybdenum back contact for Cu{sub 2}ZnSnS{sub 4} thin film solar cells

In this work, an industrially viable manufacturing process—rapid thermal annealing (RTA) of Molybdenum back contact is proposed and investigated to improve the performance of sputtered Cu{sub 2}ZnSnS{sub 4} (CZTS) solar cells. The RTA process was found to facilitate Na diffusion from soda lime glass to Mo as well as CZTS and improve the crystallinity of the Mo film. Consequently, the surface morphology of the subsequently deposited CZTS absorbers is improved, which results in significant enhancement of open circuit voltage, short-circuit current density, fill factor, and conversion efficiency.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Screening of Cu-Based Catalysts for Selective Methane to Methanol Conversion

Developing selective catalysts for methane conversion to added value chemicals has been considered as a promising approach for efficient utilization of abundant natural gas resources. Here, we present a descriptor-based screening for high methane conversion and methanol selectivity at the interfaces between metal oxide clusters and Cu 2 O/Cu(111) support (MO x /Cu 2 O/Cu(111), M = Mg, Fe, Co, Ni, Cu, Zn, Ti, Zr, Sn, Ce) on exposure to the mixture of CH 4 /O 2 /H 2 O. Wherein, the activation energy of direct methane to methanol conversion, *OH + *CH 4 → *CH 3 OH + *H, and the ratio for adsorption energy of oxygen and water, E ads (O 2 )/E ads (H 2 O), are identified as the effective descriptor for methane conversion and methanol selectivity, respectively. Finally, by providing an exceptional oxygen and hydroxyl sites with high-lying O 2p states, the MgO/Cu 2 O/Cu(111) catalyst is found to be the most promising system among the systems studied, being able to provide the highest methane conversion with high methanol selectivity.

03 NATURAL GAS↗

Electrical power generation from moderate-temperature radiative thermal sources

Moderate-temperature thermal sources (100° to 400°C) which radiate waste heat are often the by-product of mechanical work, chemical or nuclear reactions, or information processing. We demonstrate conversion of thermal radiation into electrical power using a bipolar grating-coupled complementary metal-oxide-silicon (CMOS) tunnel diode. A two-step photon-assisted tunneling charge pumping mechanism results in separation of charge carriers in pn-junction wells leading to a large open-circuit voltage developed across a load. Electrical power generation from a broadband blackbody thermal source has been experimentally demonstrated with converted power densities of 27 to 61 microwatts per square centimeter for thermal sources between 250° and 400°C. Scalable, efficient conversion of radiated waste heat into electrical power can be used to reduce energy consumption or to power electronics and sensors.

30 DIRECT ENERGY CONVERSION↗

BETO 2021 Peer Review - Biological Upgrading of Sugars (BUS) 2.3.2.105

The Biological Upgrading of Sugars (BUS) project directly targets the anaerobic conversion of lignocellulosic feedstocks into intermediate molecules readily upgradeable to fuel precursors. Recent efforts on the BUS project have a particular emphasis on the biological production of butyric acid, an intermediate that can be readily upgraded to sustainable aviation fuel, diesel blend-stocks, and high value chemicals. The BUS project approaches this direction through a combination of strain engineering, fermentation process engineering, development of novel separations technologies, and the design and build of pilot scale systems. Our ultimate project goal is to develop an integrated cost-effective process at pilot scale to achieve DOE's MYPP targets of $2.50/GGE. The major thrust of the BUS project over the last project cycle was on the development of integrated processes surrounding the anaerobic production of carboxylic acids using diverse Clostridium species. We developed and expanded genetic tools for several Clostridium species and rewired microbial metabolism in an attempt to maximize substrate utilization and flux towards butyric acid. We designed and built novel bioreactors with an in situ product recovery system enabling the biological production and recovery of highly purified acids. We leveraged this system to generate 100s of grams of acid from corn stover hydrolysate. In this presentation we highlight data surrounding our proposed process and accompanying results from technoeconomic and life-cycle analyses of our integrated process. Finally, we detail plans of our pilot scale reactor system that is in process and discuss our future routes towards achieving economically viable and sustainable diesel and jet blendstocks.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Structural and Kinetic Studies of Novel Cytochrome P450 Small-Alkane Hydroxylases

The goals of this project are to investigate (1) the kinetics and stabilities of engineered cytochrome P450 (P450) small alkane hydroxylases and their evolutionary intermediates, (2) the structural basis for catalytic proficiency on small alkanes of these engineered P450s, and (3) the changes in redox control resulting from protein engineering. To reach these goals, we have established new methods for determining the kinetics and stabilities of multicomponent P450s such as CYP153A6. Using these, we were able to determine that CYP153A6 is proficient for hydroxylation of alkanes as small as ethane, an activity that has never been observed previously in any natural P450. To elucidate the structures of the engineered P450s, we obtained x-ray diffraction data for two variants in the P450 PMO (propane monooxygenase) lineage and a preliminary structure for the most evolved variant. This structure shows changes in the substrate binding regions of the enzyme and a reduction in active site volume that are consistent with the observed changes in substrate specificity from fatty acids in the native enzyme to small alkanes in P450 PMO . We also constructed semi-rational designed libraries mutating only residues in the enzyme active site that in one round of mutagenesis and screening produced variants that achieved nearly half of the activity of the most evolved enzymes of the P450 PMO lineage. Finally, we found that changes in redox properties of the laboratory-evolved P450 alkane hydroxylases did not reflect the improvement in their electron transfer efficiency. The heme redox potential remained constant throughout evolution, while activity increased and coupling efficiency improved from 10% to 90%. The lack of correlation between heme redox potential and enzyme activity and coupling efficiency led us to search for other enzyme properties that could be better predictors for activity towards small alkanes, specifically methane. We investigated the oxidation potential of the radical oxidants of various P450s directly using a chemical approach to generate the radical in situ . This resulted in the first report of direct methane to methanol conversion by a heme porphyrin catalyst using the soluble P450 from Mycobacterium sp , CYP153A6.

03 NATURAL GAS↗

Channeling of electron transport to improve collection efficiency in mesoporous titanium dioxide dye sensitized solar cell stacks

Dye-sensitized solar cell (DSC) modules are generally made by interconnecting large photoelectrode strips with optimized thickness (∼14 μm) and show lower current density (J{sub SC}) compared with their single cells. We found out that the key to achieving higher J{sub SC} in large area devices is optimized photoelectrode volume (V{sub D}), viz., thickness and area which facilitate the electron channeling towards working electrode. By imposing constraints on electronic path in a DSC stack, we achieved >50% increased J{sub SC} and ∼60% increment in photoelectric conversion efficiency in photoelectrodes of similar V{sub D} (∼3.36 × 10{sup −4} cm{sup 3}) without using any metallic grid or a special interconnections.

30 DIRECT ENERGY CONVERSION↗

System and methods for reducing harmonic distortion in electrical converters

Systems and methods are provided for delivering energy using an energy conversion module. An exemplary method for delivering energy from an input interface to an output interface using an energy converison module coupled between the input interface and the output interface comprises the steps of determining an input voltage reference for the input interface based on a desired output voltage and a measured voltage and the output interface, determining a duty cycle control value based on a ratio of the input voltage reference and the measured voltage, operating one or more switching elements of the energy conversion module to deliver energy from the input interface to the output interface to the output interface with a duty cycle influenced by the dute cycle control value.

30 DIRECT ENERGY CONVERSION↗

Optoelectronic semiconductor device and method of fabrication

An optoelectronic device comprising an optically active layer that includes a plurality of domes is presented. The plurality of domes is arrayed in two dimensions having a periodicity in each dimension that is less than or comparable with the shortest wavelength in a spectral range of interest. By virtue of the plurality of domes, the optoelectronic device achieves high performance. A solar cell having high energy-conversion efficiency, improved absorption over the spectral range of interest, and an improved acceptance angle is presented as an exemplary device.

14 SOLAR ENERGY↗

Energy conversion with solid oxide fuel cell systems: A review of concepts amd outlooks for the short- and long-term

A review of energy conversion systems which use solid oxide fuel cells (SOFCs) as their primary electricity generation component is presented. The systems reviewed are largely geared for development and use in the short- and long-term future. These include systems for bulk power generation, distributed power generation, and systems integrated with other forms of energy conversion such as fuel production. The potential incorporation of CO{sub 2} capture and sequestration technologies and the influences of potential government policies are also discussed.

30 DIRECT ENERGY CONVERSION↗