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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Design of Twisted Two-Dimensional Heterostructures and Performance Regulation Descriptor for Electrocatalytic Ammonia Production from Nitric Oxide

The electrocatalytic reduction of nitric oxide (NO) to ammonia (NH 3 ) represents an attractive alternative for valorizing waste NO streams (NORR). However, discovering efficient catalysts for NO-to-NH 3 conversion remains challenging. We have designed metal-intercalated twisted graphene-BN heterostructures, in which metal atoms act as electron-transfer bridges. The twisted configuration facilitates cross-interface charge transfer, redistributing electrons from the graphene–metal interface to the metal–BN interface and BN surface. This electronic modulation enables boron atom adjacent to the metal center in BN to serve as active sites, promoting strong chemisorption and enhanced activation of NO. After high-throughput screening of the stability and NO capture ability of various transition metal-intercalated twisted heterostructures, we have investigated systematically the NORR pathways across 30 candidates. The results show that the rBN-Ti-Gθ and rBN-V-Gθ heterostructures exhibit exceptional NO-to-NH 3 catalytic performance under optimized twisting conditions. Additionally, using sure independence screening and sparsifying operator (SISSO) for model training, we propose a descriptor and establish a relationship between the twist angle and catalytic activity. This study bridges the gap in applying twisted heterostructures to NORR electrocatalysis and provides new insights and strategies for designing high-performance NORR catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Solar Ammonia Production via Novel Two-step Thermochemical Looping of a Co 3 Mo 3 N/Co 6 Mo 6 N pair [Slides]

Ternary nitrides in the family A 3 B x N (A=Co, Ni, Fe; B=Mo; x=2,3) identified and synthesized. Experiments with Co 3 Mo 3 N in Ammonia Synthesis Reactor demonstrate cyclable NH3 production from bulk nitride under pure H 2 . Production rates were approx. constant in all the reduction steps with no evident dependence on the consumed solid-state nitrogen up to formation of 661. Material can be re-nitridized under pure N 2 (or 10% H 2 /N 2 ). Bulk N utilization per reduction step averaged between 25 – 40% of the total (2-3 hours). Rate equations and parameters extracted from data. NH 3 selectivity exceeds gas phase equilibrium at higher temperatures (in a large excess of H 2 ). Selectivity begins to decrease significantly above 650 C, N 2 production rapidly increases above 650 C seemingly due to reaction that is zero order in H 2 (thermal reduction of the nitride?). Poised to begin the systematics studies of relationships between materials and reactions.

14 SOLAR ENERGY↗
DOE OSTI2024

Intensification and Integration of Hydrogen and Ammonia Production

In this project the Colorado School of Mines developed a more efficient method for on-site and on-demand generation of high purity hydrogen from ammonia for hydrogen fueling stations. Used primarily as a fertilizer, ammonia is the world’s highest volume commodity chemical. Having 17.6% hydrogen by mass, it also shows potential as a hydrogen carrier and carbon-free fuel. The team developed new technology to generate fuel cell quality hydrogen from ammonia using a catalytic membrane reactor (CMR). In addition, during the project we pivoted to use this CMR technology for the production of NH3/H2 mixtures for use in clean combustion applications. We demonstrated that these mixtures may serve as a drop-in replacement for conventional hydrocarbons such as natural gas. This project entails development of new catalysts, new membranes, and their innovative integration. This project helped generate >$4M in follow on funding at Mines, and resulted in the formation of a clean tech startup, Blaze Energy Technologies, which has licensed IP developed in this project and is working to commercialize this technology.

08 HYDROGEN↗
DOE OSTI2020

Nitrogenase Bioelectrocatalysis: ATP-Independent Ammonia Production Using a Redox Polymer/MoFe Protein System

Nitrogenase is the only biological catalyst that is understood to be able to convert nitrogen gas to ammonia. In microorganisms, the MoFe catalytic protein of nitrogenase is reduced by a transient Fe protein binding and separate hydrolysis of ATP. Yet, the requirement of 16 ATP molecules by the Fe protein for the 8 electron transfer is an energy-intense caveat to the enzymatic synthesis of NH 3 and is challenging from an electrochemical perspective. Thus, we report the redox polymer-based ATP-free mediated electron-transfer system of MoFe nitrogenase using cobaltocene-functionalized poly(allylamine) (Cc-PAA), which is able to reduce the MoFe nitrogenase directly with a low redox potential of -0.58 V vs SHE. An efficient immobilization of MoFe nitrogenase via Cc-PAA allowed for the bioelectrocatalytic reduction of N 3 – , NO 2 – , and N 2 to NH 3 . Bulk bioelectrosynthetic experiments produced 7 ± 2 and 30 ± 5 nmol of NH 3 from NO 2 – and N 3 – reduction for 30 min, respectively. In addition, biosynthetic N 2 reduction to NH 3 was confirmed by 15 N 2 labeling experiments with NMR analysis. This mediated electron-transfer approach of the immobilized nitrogenase using the Cc-PAA redox polymer provides a valuable technological basis for scale-up and industrial uses in the future of bioelectrosynthesis.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Development of an Energy-Efficient and High-Productivity Ammonia Recovery and Removal Process Using Resin-Wafer Electrodeionization

As efforts to develop various energy resources, ammonia energy is emerging as a promising carbon-free fuel alternative. Recovering high-concentration ammonia and ammonium from wastewater potentially offers significant environmental and economic benefits. However, research on recovery technologies for industries such as semiconductors remains limited. This study develops an efficient, energy-saving ammonia recovery technology using Resin Wafer Electrodeionization (RW-EDI), specifically for the semiconductor industry. RW-EDI shows promise for recovering ammonia from high-concentration wastewater. By optimizing parameters, such as voltage and initial concentration, a balance between productivity and energy consumption is achieved. Results indicate that ammonium and fluoride ion transport kinetics are similar, with minimal competition and selectivity values between 0.95 and 1.08. As the initial ammonia/ammonium concentration increases from 500 to 8000 ppm, reaction rate constants and the overall mass transfer coefficient decrease. Increasing the voltage can enhance mass transfer and eliminate barriers. Ion transport primarily occurs in the RW solid phase, accounting for 93.89% of the total current. Additionally, RW-EDI shows superior specific energy consumption within a concentration range of 500 ppm to 8000 ppm, outperforming technologies like electrodialysis by reducing specific energy consumption from 8−15 kWh/kg-NH 4 + to 1.2−2.5 kWh/kg-NH 4 + . This study highlights RW-EDI’s potential for ammonia recovery, providing valuable insights for future applications in wastewater treatment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Systems Analysis Perspectives of Methane Pyrolysis, Fossil-Based Ammonia Production, and H2 and NG/H2 Transport (FWP-1022467 (5, 7, 8))

This poster presentation provides an overview of NETL’s work focused towards supporting the development of technical solutions to: 1) produce economical and low-carbon hydrogen from natural gas; 2) advance hydrogen sensing technologies for the existing natural gas pipelines; 3) evaluating new infrastructure to be used to transport hydrogen safely at a large scale; and 4) produce sustainable chemicals and fuels, such as ammonia, from natural gas resources, including methane emissions from flare gas.

Sheriff, Alana↗
DOE OSTI2023

Synthesis and Structural Study of Substituted Ternary Nitrides for Ammonia Production

Over the past few decades, inorganic nitride materials have grown in importance in part due to their potential as catalysts for the synthesis of NH 3 , a key ingredient in fertilizer and precursor to industrial chemicals. Of particular interest are the ternary (ABN) or higher-order nitrides with high metal-to-nitrogen ratios that show promise in enhancing NH 3 synthesis reaction rates and yields via heterogeneous catalysis or chemical looping. Although metal nitrides are predicted to be numerous, the stability of nitrogen triple bonds found in N 2 , especially in comparison to the metal–nitrogen bonds, has considerably hindered synthetic efforts to produce complex nitride compounds. In this study, we present an exhaustive down-selection process to identify ternary nitrides for a promising chemical looping NH 3 production mechanism. We also report on a facile and efficient two-step synthesis method that can produce well-characterized η-carbide Co 3 Mo 3 N/Fe 3 Mo 3 N or filled β-manganese Ni 2 Mo 3 N ternaries, as well as their associated quaternary, (Co,Fe) 3 Mo 3 N, (Fe,Ni) 2 Mo 3 N, and (Co,Ni) 2 Mo 3 N, solid solutions. To further explore the quaternary space, syntheses of (Co,Ni) 3 Mo 3 N (Ni ≤ 10 mol %) and Co 3 (Mo,W) 3 N (W ≤ 10 mol %) were also investigated. The structures of the nitrides were characterized via X-ray powder diffraction. The morphology and compositions were characterized with scanning electron microscopy. In conclusion, the multitude of chemically unique, but structurally related, nitrides suggests that properties such as nitrogen activity may be tunable, making the materials of great interest for NH 3 synthesis schemes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Single-atom vs. single-superatom as catalysts for ammonia production

A new class of single-superatom catalyst (TiO, ZrO, and WC) supported on graphene is shown to outperform the stability and activity of their corresponding single-atom catalysts (Ni, Pd and Pt) for the electrochemical nitrogen reduction reaction.

Kilic, Mehmet Emin [Physics Department, Virginia C↗