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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 OSTI2022

Understanding Platinum Ionomer Interface Properties of Polymer Electrolyte Fuel Cells

A well-designed cathode catalyst layer with optimal ionomer distribution is critical to minimizing amount of Platinum (Pt) content in polymer electrolyte fuel cells (PEFCs). The impact of Pt loading, ionomer content and carbon support types on the catalyst/ionomer interface were also investigated at dry and wet conditions. Higher Pt loadings resulted in higher double layer capacity (C dl ) and similar electrochemical surface area (ECSA) due to well dispersed ionic phase material. Higher ionomer content resulted in higher ionic conductivity but also showed similar SO 3 − group coverage. High surface area (HSA) carbon support had larger ECSA and C dl at both dry and wet conditions, as less agglomerated Pt was well dispersed in the meso-pores of the support. Lower SO 3 − group coverages were observed for HSA carbon than for Vulcan carbon due to Pt particles being buried within the porous HSA carbon support. The effect of cell conditioning and voltage recovery on the PEFC cathode catalyst layer was shown to have minimal impact on SO 3 − group coverage despite a decrease in C dl and ECSA due to the size increase of Pt particles. At dry condition, a significant increases in SO 3 − group coverage were observed for all MEAs due to higher adsorptivity of ionomer in dry conditions.

25 ENERGY STORAGE↗
DOE OSTI2022

Synthesis of platinum nanoparticles on strontium titanate nanocuboids via surface organometallic grafting for the catalytic hydrogenolysis of plastic waste

Pt/SrTiO 3 (Pt/STO), prepared on small scale by atomic layer deposition (ALD), is a capable heterogeneous catalyst for the selective hydrogenolysis of polyolefins to hydrocarbon oils, providing a promising approach for upcycling plastic waste. However, because deposition by ALD is costly and resource-intensive, a new synthesis of Pt/STO is needed to effectively scale catalyst production and pursue the commercialization of upcycling processes. To that effect, this work details a scalable deposition method for Pt/STO made by surface organometallic chemistry (SOMC) techniques using Pt(II) acetylacetonate or and trimethyl(methylcyclopentadienyl)platinum. The STO support was calcined (550 °C), treated with ozone (200 °C), and finally steamed (200 °C) to afford a clean STO surface populated with only hydroxyl groups. Pt precursors were dissolved in toluene and deposited onto STO. After reduction at 300 °C, the STO support was decorated with 1.0–1.5 nm Pt nanoparticles. The size and loading of these nanoparticles were varied by employing a multi-cycle deposition and oxidation and/or reduction process designed to ALD techniques. In conclusion, these Pt/STO catalysts hydrogenolyzed isotactic polypropylene into liquid products (>95% yield) with average molecular weights of 200–300 Da (~25 carbon atoms) and narrow size distributions at 300 °C and 180 psi H 2 .

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

Atomically Precise Single Metal Oxide Cluster Catalyst with Oxygen–Controlled Activity

Single cluster catalysts (SCCs) consisting of atomically precise metal nanoclusters dispersed on supports represent a new frontier of heterogeneous catalysis. However, the ability to synthesize SCCs with high loading and to precisely introduce non-metal atoms to further tune their catalytic activity and reaction scope of SCCs have been longstanding challenges. In this work, a new interface confinement strategy is developed for the synthesis of a high density of atomically precise Ru oxide nanoclusters (Ru 3 O 2 ) on reduced graphene oxide (rGO), attributed to the suppression of diffusion-induced metal cluster aggregation. Ru 3 O 2 /rGO exhibits a significantly enhanced activity for oxidative dehydrogenation of 1,2,3,4-tetrahydroquinoline (THQ) to quinoline with a high yield (≈86%) and selectivity (≈99%), superior to Ru and RuO 2 nanoparticles, and homogeneous single/multiple-site Ru catalysts. In addition, Ru 3 O 2 /rGO is also capable of efficiently catalyzing more complex oxidative reactions involving three reactants. The theoretical calculations reveal that the presence of two oxygen atoms in the Ru 3 O 2 motif not only leads to a weak hydrogen bonding interaction between the THQ reactant and the active site, but also dramatically depletes the density of states near the Fermi level, which is attributed to the increased positive valence state of Ru and the enhanced oxidative activity of the Ru 3 O 2 cluster for hydrogen abstraction.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Revolutionizing Methane Transformation with the Dual Production of Aromatics and Electricity in a Protonic Ceramic Electrocatalytic Membrane Reactor

Reducing the energy and carbon intensity of the conventional chemical processing industry can be achieved by electrochemically transforming natural gases into higher-value chemicals with higher efficiency and near-zero emissions. In this work, the direct conversion of methane to aromatics and electricity has been achieved in a protonic ceramic electrocatalytic membrane reactor through the integration of a proton-conducting membrane assembly and a trimetallic Pt–Cu/Mo/ZSM-5 catalyst for the nonoxidative methane dehydro-aromatization reaction. In this integrated system, a remarkable 15.6% single-pass methane conversion with an 11.4% benzene yield has been demonstrated, while a peak power density of 276 mW cm –2 is obtained at 700 °C. The enhanced 15.7% increase in conversion and 16.0% improvement in the yield are observed when compared with the thermochemical process, which is attributed to the shift of reaction equilibrium by the removal of hydrogen through the protonic membrane. Concurrently, the faster H2 removal at a higher electrical current gave rise to a higher methane conversion and benzene yield. Furthermore, the catalyst can be efficiently regenerated by eliminating carbon deposition. A stable cell potential is maintained for 45 h under a constant current load of 0.13 A cm –2 . Lastly, the dual production of aromatics and electricity in the electrocatalytic membrane reactor has been demonstrated to be an attractive approach for decarbonizing chemical processing.

aromatic compounds↗
DOE OSTI2025

Defect-Engineered High-Entropy Spinel Oxide@Onion-Like Carbon Catalysts for High-Areal-Energy Rechargeable Zinc–Air Batteries

Rechargeable zinc-air batteries (ReZAB) have emerged as the next-generation batteries with several advantages over the conventional lithium-ion battery. In this work, single nanocrystals of inverse-type high-entropy spinel oxides (HESOx, particle size of 10−12 nm) confined in highly curved defective onion-like carbons (HESOx/OLC AT ) as efficient electrocatalysts for oxygen evolution reaction (OER), oxygen reduction reaction (ORR), and ReZAB, have been synthesized. The HESOx materials were thoroughly characterized using several analytical techniques, including X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), scanning transmission electron microscopy (STEM), Raman, and electron paramagnetic resonance (EPR). HESOx/OLC AT catalyst was tested for ReZAB using literature-recommended parameters that would allow for real technological application. These parameters include a current loading of 10 mA cm −2 and a discharge areal energy density of 35 mWh cm geometric −2 , which maps a Li-ion battery pack-level specific energy of 120 Wh kg pack −1 . HESOx/OLC AT electrocatalysts allowed for continuous discharging and charging at a current loading of 10 mA cm −2 with discharge areal energy densities between 37 and 74 mWh cm geometric −2 , thus outperforming the recommended threshold of 35 mWh cm geometric −2 . Considering that most studies (>90%) hardly meet the recommended threshold for technological application of ReZAB, the present work represents one of the top-performing electrocatalysts for ReZAB. The excellent electrocatalytic properties of defect-rich HESOx/OLC AT toward ORR/OER and ReZAB are governed by the strong electronic modulation arising from d-π hybridization, the availability of multiple catalytic sites for intermediates, and weakened d-band centers of the rate-determining intermediates (i.e., *O adsorption for ORR and *OOH formation for OER) compared to the pristine HESOx. This work introduces an effective approach for the design and synthesis of single nanocrystals of high-entropy electrocatalysts for the development of low-cost, robust, and technologically relevant rechargeable zinc−air batteries.

25 ENERGY STORAGE↗
NASA NTRS2009

Assessment of Composite Delamination Self-Healing Under Cyclic Loading

Recently, the promise of self-healing materials for enhanced autonomous durability has been introduced using a micro-encapsulation technique where a polymer based healing agent is encapsulated in thin walled spheres and embedded into a base polymer along with a catalyst phase. For this study, composite skin-stiffener flange debonding specimens were manufactured from composite prepreg containing interleaf layers with a polymer based healing agent encapsulated in thin-walled spheres. Constant amplitude fatigue tests in three-point bending showed the effect of self-healing on the fatigue response of the skin-stiffener flange coupons. After the cycling that created debonding, fatigue tests were held at the mean load for 24 hours. For roughly half the specimens tested, when the cyclic loading was resumed a decrease in compliance (increase in stiffness) was observed, indicating that some healing had occurred. However, with continued cycling, the specimen compliance eventually increased to the original level before the hold, indicating that the damage had returned to its original state. As was noted in a prevoius study conducted with specimens tested under monotonically increasing loads to failure, healing achieved via the micro-encapsulation technique may be limited to the volume of healing agent available relative to the crack volume.

O'Brien, T. Kevin↗
DOE OSTI2023

Elucidating the Effect of Ion Exchange Protocol on the Copper Exchange Efficacy, Copper Siting, and SCR activity in Cu-SSZ-13

The influence of the copper ion exchange protocol on SCR activity of SSZ-13 is quantified. Using the same parent SSZ-13 zeolite, four exchange protocols are used to assess how exchange protocol impacts metal uptake and SCR activity. Large differences in the SCR activity, nearly 30 percentage points at 160 °C at constant copper content, are observed for different exchange protocols implying that different exchange protocols lead to different copper species. Hydrogen temperature programmed reduction on selected samples and infrared spectroscopy of CO binding corroborates this conclusion as the reactivity at 160 °C correlates with the intensity of the IR band at 2162 cm -1 . DFT-based calculations show that such an IR assignment is consistent with CO adsorbed on a Cu(I) cation within an eight-membered ring. This work shows that SCR activity can be influenced by the ion exchange process even when different protocols lead to the same metal loading. Perhaps most interesting, a protocol used to generate Cu-MOR for methane to methanol studies led to the most active catalyst both on a unit mass or unit mole copper basis. This points to a yet not recognized means to tailor catalyst activity as the open literature is silent on this issue.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2014

NASA Tech Briefs, June 2014

Topics include: Real-Time Minimization of Tracking Error for Aircraft Systems; Detecting an Extreme Minority Class in Hyperspectral Data Using Machine Learning; KSC Spaceport Weather Data Archive; Visualizing Acquisition, Processing, and Network Statistics Through Database Queries; Simulating Data Flow via Multiple Secure Connections; Systems and Services for Near-Real-Time Web Access to NPP Data; CCSDS Telemetry Decoder VHDL Core; Thermal Response of a High-Power Switch to Short Pulses; Solar Panel and System Design to Reduce Heating and Optimize Corridors for Lower-Risk Planetary Aerobraking; Low-Cost, Very Large Diamond-Turned Metal Mirror; Very-High-Load-Capacity Air Bearing Spindle for Large Diamond Turning Machines; Elevated-Temperature, Highly Emissive Coating for Energy Dissipation of Large Surfaces; Catalyst for Treatment and Control of Post-Combustion Emissions; Thermally Activated Crack Healing Mechanism for Metallic Materials; Subsurface Imaging of Nanocomposites; Self-Healing Glass Sealants for Solid Oxide Fuel Cells and Electrolyzer Cells; Micromachined Thermopile Arrays with Novel Thermo - electric Materials; Low-Cost, High-Performance MMOD Shielding; Head-Mounted Display Latency Measurement Rig; Workspace-Safe Operation of a Force- or Impedance-Controlled Robot; Cryogenic Mixing Pump with No Moving Parts; Seal Design Feature for Redundancy Verification; Dexterous Humanoid Robot; Tethered Vehicle Control and Tracking System; Lunar Organic Waste Reformer; Digital Laser Frequency Stabilization via Cavity Locking Employing Low-Frequency Direct Modulation; Deep UV Discharge Lamps in Capillary Quartz Tubes with Light Output Coupled to an Optical Fiber; Speech Acquisition and Automatic Speech Recognition for Integrated Spacesuit Audio Systems, Version II; Advanced Sensor Technology for Algal Biotechnology; High-Speed Spectral Mapper; "Ascent - Commemorating Shuttle" - A NASA Film and Multimedia Project DVD; High-Pressure, Reduced-Kinetics Mechanism for N-Hexadecane Oxidation; Method of Error Floor Mitigation in Low-Density Parity-Check Codes; X-Ray Flaw Size Parameter for POD Studies; Large Eddy Simulation Composition Equations for Two-Phase Fully Multicomponent Turbulent Flows; Scheduling Targeted and Mapping Observations with State, Resource, and Timing Constraints;

Source record↗
DOE OSTI2024

Salt Hydrate Eutectic Thermal Energy Storage for Building Thermal Regulation (Final Technical Report)

Thermal energy storage is anticipated to play an important role in developing the power grid of the future - a power grid that meets increasing demands of users, is resistant to disruptions, but also allows for greater penetration of renewable resources. Specifically, thermal energy storage materials can be integrated into HVAC systems and building envelopes, where they can be used to shift power demands for building climate control from periods of peak demand to periods of low demand. Phase change materials (PCMs) are compelling as low-cost, high energy density thermal energy storage materials for building thermal management. However, there is a lack of high performance low-cost PCMs within the specific temperature ranges which would most effectively allow for power load shifting. Inorganic salt hydrates represent a promising class of PCMs, but their inherent limitations cause them to be currently unavailable for reliable building applications. The overarching goals of this research effort are to: 1) Discover low-cost, high volumetric density salt hydrate eutectic PCMs to store low-quality heat (10 to 40 °C); 2) Introduce a high thermal conductivity matrix to reduce the time constant for energy storage to ~0.1 to 1 hr, incorporate nucleation catalysts to decrease undercooling, and utilize microencapsulation and shape stabilization approaches, minimizing moisture loss/gain, mitigating phase separation, and maintaining stable melting behavior over the lifetime of the compounds; 3) Evaluate the impact these systems have on peak load shifting, and the potential for overall energy savings under different climatic scenarios and building configurations. These goals will be achieved by an integrated research program consisting of six cohesive research subtasks: 1) Materials discovery of eutectic salt hydrate PCMs by using computationally predicted thermodynamic equilibria, coupled with high-throughput experimental validation, 2) Rapid experimental screening of nucleation catalysts identified through robust computational databases, 3) Embedding salt hydrate PCM into a low cost and scalable high conductivity matrix, 4) Microencapsulation of salt hydrate microspheres using hybrid inorganic-polymer microencapsulation approach, 5) Shape stabilization by thermoreversible salt hydrate salogels, and 6) Analysis of end-use using thermal simulations, and characterization of mock-up energy storage finished components.

25 ENERGY STORAGE↗
DOE OSTI2023

Rational design of septenary high-entropy alloy for direct ethanol fuel cells

Promoting C–C bond cleavage of ethanol by a complete 12-electron (12e) ethanol oxidation reaction (EOR) is a grand challenge for the development of highly efficient direct ethanol fuel cells (DEFCs). Most state-of-the-art catalysts only implement the EOR in an incomplete 4e or 2e pathway because of the poisoning of the catalysts by strongly adsorbed CO, leading to the poor output performance and low cell efficiency of DEFCs. Herein, a septenary PtPdFeCoNiSnMn high-entropy alloy (PtPd HEA) with a PtPd-rich surface but super-low platinum group metals loading was developed. We identified and proved the functions of each element in the PtPd HEA. The DEFCs assembled with the PtPd HEA (0.12 mg PtPd ∙cm -2 ) achieved a maximum power density of 0.72 W cm -2 and a durable operation for 1,200 h, which outperforms state-of-the-art catalysts for DEFCs. This work will be a design principle for nanostructured alloy development for renewable energy and sustainability applications.

25 ENERGY STORAGE↗
DOE OSTI2024

Performance and Durability of Heavy-Duty Fuel Cell Systems with an Advanced Ordered Intermetallic ORR Alloy Catalyst and Novel Support

Ordered PtCo intermetallic (OIM) catalyst (L1 0 -PtCo/C) is a promising candidate as the oxygen reduction reaction (ORR) catalyst in hybrid fuel cell systems (FCS) for class-8 heavy duty (HD) trucks. Compared to a baseline annealed Pt on high surface area carbon (a-Pt/HSC) catalyst, its mass activity (MA) is 71% higher initially and 144% higher after 90,000 potential cycles in an accelerated stress test (AST). Analysis of the AST data indicates that the ORR kinetic constants do not change with aging and the degradation in the OIM catalyst activity is linearly proportional to the loss in the electrochemically active surface area (ECSA). Several operational strategies are investigated to mitigate catalyst degradation and achieve 25,000-h electrode lifetime and 2.5 kW g −1 Pt utilization on a HD truck duty cycle including load sharing with the hybrid battery, regulating the radiator fan power to maintain the coolant temperature close to 60 °C, clipping the maximum cell voltage below 850 mV, limiting the ECSA loss to 55%, and oversizing the active area of the membrane electrode assemblies by 20%. Drive cycle simulations indicate that the lifetime average voltage degradation rate is about 1.8 μV h −1 and the integrated stack and FCS drive cycle efficiencies decrease by 3.5 to 3.9%.

25 ENERGY STORAGE↗
NASA NTRS1981

New pressure-sensitive silicone adhesive

Adhesive for high or low temperatures does not stretch severely under load. It is produced by combining intermediate-molecular-weight pressure sensitive adhesive which does not cure with silicone resin that cures with catalyst to rubbery tack-free state. Blend of silicone tackifier and cured rubbery silicone requires no solvents in either atmospheric or vacuum environments. Ratio of ingredients varies for different degrees of tack, creep resistance, and tensile strength.

Leiffer, J. L.↗
NASA NTRS2018

Upgrades to the International Space Station Water Processor Assembly

The International Space Station Water Processor Assembly provides contaminant control and deionization to the Water Recovery System. The Water Processor Assembly presently utilizes sorbent-based Multifiltration Beds and a downstream Catalytic Reactor for these operations. Upgrades and process improvements are desired to improve performance, increase reliability, and decrease consumable resupply. To this end, reverse osmosis membrane separation technologies were evaluated to reduce influent contaminant loads, candidate additives to inhibit wastewater biofilm formation were studied, and life stability testing was completed for a recently developed high-activity catalyst. Evaluation of an adsorption media integration concept was also completed. The performance and applicability of these new technologies within the Water Processor Assembly, as well as their suitability for exploration missions, are discussed herein.

Kayatin, Matthew J.↗
NASA NTRS2015

Green Propellant Demonstration with Hydrazine Catalyst of F-16 Emergency Power Unit

Some space vehicle and aircraft Auxiliary Power Units (APUs) use hydrazine propellant for generating power. Hydrazine is a toxic, hazardous fuel which requires special safety equipment and processes for handling and loading. In recent years, there has been development of two green propellants that could enable their use in APU's: the Swedish LMP-103S and the Air Force Research Laboratory (AFRL) AF-M315E. While there has been work on development of these propellants for thruster applications (Prisma and Green Propulsion Infusion Mission, respectively), there has been less focus on the application to power units. Beginning in 2012, an effort was started by the Marshall Space Flight Center (MSFC) on the APU application. The MSFC plan was to demonstrate green propellants with residual Space Shuttle hardware. The principal investigator was able to acquire a Solid Rocket Booster gas generator and an Orbiter APU. Since these test assets were limited in number, an Air Force equivalent asset was identified: the F-16 Emergency Power Unit (EPU). In June 2013, two EPU's were acquired from retired aircraft located at Davis Monthan Air Force Base. A gas generator from one of these EPU's was taken out of an assembly and configured for testing with a version of the USAF propellant with a higher water content (AF-M315EM) to reduce decomposition temperatures. Testing in November 2014 has shown that this green propellant is reactive with the Hydrazine catalyst (Shell 405) generating 300 psi of pressure with the existing F-16 EPU configuration. This paper will highlight the results of MSFC testing in collaboration with AFRL.

Robinson, Joel W.↗
DOE OSTI2024

Electrolyte–Electrocatalyst Interfacial Effects of Polymeric Materials for Tandem CO 2 Capture and Conversion Elucidated Using In Situ Electrochemical AFM

Integrating CO 2 capture and electrochemical conversion has been proposed as a strategy to reduce the net energy required for CO 2 regeneration in traditional CO 2 capture and conversion schemes and can be coupled with carbon-free renewable electricity. Polyethylenimine (PEI)-based materials have been previously studied as CO 2 capture materials and can be integrated in these reactive capture processes. PEI-based electrolytes have been found to significantly increase the CO 2 loading, and impact selectivity and rate of product formation when compared to the conventional aqueous electrolytes. However, the influence of these materials at the catalyst–electrode interface is currently not well understood. In this study, PEI-based electrolytes were prepared and their impact on the morphology of a silver electrode performing electrochemical CO 2 reduction (CO 2 R) was studied using in situ electrochemical atomic force microscopy (EC-AFM). The presence of PEI on the electrode surface could be distinguished based on nanomechanical properties (DMT modulus), and changes were observed as negative polarization was applied, revealing a reorganization of the PEI chains due to electrostatic interactions. These changes were impacted by the electrolyte composition, including the addition of supporting electrolyte KHCO 3 salt, as well as CO 2 captured by the PEI-based electrolyte, which minimized the change in surface mechanical properties and degree of PEI alignment on the electrode surface. The changes in surface mechanical properties were also dependent on the PEI polymer length, with higher molecular weight PEI showing different reconfiguration than the shorter polymer brushes. The study highlights that the choice of polymer material, the electrolyte composition, and CO 2 captured impact the nearelectrode environment, which has implications for CO 2 R, and presents EC-AFM as a new tool that can be used to probe the dynamic behavior of these interfaces during electrocatalysis.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Durable Fuel Cell MEA through Immobilization of Catalyst Particle and Membrane Chemical Stabilizer

For hydrogen-based fuel cell electric vehicle to be cost competitive with the incumbent diesel-powered internal combustion engine heavy-duty vehicle, the total cost of ownership of the truck must be decreased via both capital cost and the operating cost (H 2 fuel expense) reduction. This puts the emphasis on the decrease of fuel cell stack cost via use of low platinum catalyst material usage to decrease capital cost, high H 2 fuel efficiency and high stack durability to decrease the operating cost. US DOE has set a target of ≤ 0.25 mgPt/cm 2 total loading in the membrane electrode assembly, high fuel efficiency of > 68% and a HD-combined target of ≥ 2.5 kW/gPGM after running an accelerated stress test (AST) equivalent to 30,000 hours of heavy-duty fuel cell operation.

08 HYDROGEN↗
DOE OSTI2024

Enhancing Low-Temperature Syngas Production via Surface Tailoring of Supported Intermetallic Nanocatalysts

An active and coke-resistant silica-encapsulated intermetallic Ni 3 Zn nanoparticle catalyst was developed for low-temperature (450 °C) dry reforming of methane (DRM). The catalyst exhibited a remarkable 4-fold increase in activity (4.5 s –1 ) with over 99% CO selectivity and 3 orders of magnitude less carbonaceous species and demonstrated remarkable stability (70 h) compared to that of a monometallic Ni catalyst. Here, the key is the combined effect of surface ensemble structure and electronic interaction modulation through the surface composition tailoring achieved by off-stoichiometric Ni and Zn loading in controlling surface chemistry for achieving different activities and H 2 /CO ratios. Characterized by ion spectroscopy, X-ray photoelectron spectroscopy, and the neutron pair distribution function, it was revealed that paired Ni δ – –Zn δ+ active sites are crucial for DRM. Transient infrared spectroscopy and isotopic analysis uncovered the synergistic effect of Ni δ – –Zn δ+ sites in activating C–H bonds and dissociating CO 2 to prevent coke formation under low-temperature conditions.

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

Zeolitic-Imidazolate Framework Derived Intermetallic Nickel Zinc Carbide Material as a Selective Catalyst for CO 2 to CO Reduction at High Pressure

The conversion of CO 2 into CO is an important step in CO 2 utilization to achieve clean fuels and value-added chemicals. Herein, we explored the pyrolysis of zeolitic imidazolate framework-8 (ZIF-8) loaded with different amounts of Ni 2+ to obtain Ni-Zn carbide (Ni 3 ZnC) embedded in N-doped carbon. Ni is present in the intermetallic compound, while Zn excess remains on the N-doped carbon. The Ni 3 ZnC phase catalyzes the selective hydrogenation of CO 2 into CO via the reverse water gas shift reaction, reaching 100 % CO selectivity at ~30 % CO 2 conversion at 450 °C and atmosphere pressure (CO 2 :H 2 =1:4, GHSV=30000 mL g cat -1 h -1 ). The methanation reaction of CO 2 /CO, which is usually favored over Ni catalysts, is suppressed. The selectivity to CO at the expense of CH 4 is related to the stability of chemisorbed CO in the Ni 3 ZnC surface, which is lower compared to Ni surfaces. The Ni 3 ZnC@NC catalyst is selective towards CO over a wide range of conditions, including high pressure, that is usually required for the conversion of CO to hydrocarbons and alcohols via the Fisher-Tropsch synthesis (FTS) process. Contrarily, a classical Ni/SiO 2 catalyst prepared by impregnation produces CH 4 under high pressure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗