Engineering topics
Gregoire, John M.
Publications and source records attributed to Gregoire, John M..
Automated monitoring of electrocatalyst corrosion as a function of electrochemical history and electrolyte formulation
We present an automated platform for studying electrode corrosion as a function of electrochemical history and electrolyte composition using Pt ORR as a proof-of-concept relevant to next-generation phosphoric acid fuel cells.
Accelerated screening of gas diffusion electrodes for carbon dioxide reduction
Electrochemical reactors based on gas diffusion electrodes (GDE) enable high current densities for reactions such as CO 2 reduction. AutoGDE is a platform for automating GDE experiments to accelerate catalyst discovery and reaction engineering.
Energy Materials Chemistry Integrating Theory, Experiment and Data Science (Final Report)
The Energy Materials Chemistry Integrating Theory, Experiment and Data Science (EM-CITED) project is a multidisciplinary research effort focused on accelerating discovery of scientific knowledge via incorporation of data science and artificial intelligence in materials chemistry research. The project aims to advance materials chemistry-aware data science to unify theory and experiment knowledge streams. The work resulted in foundational AI frameworks for materials chemistry – Deep Reasoning Networks (DRNets), Hierarchical Correlation Learning for Multi-property Prediction (H-CLMP), and Material-to-Spectrum (Mat2Spec) prediction – as well as a host of strategies for accelerated scientific discoveries through principled incorporation of data science in computational and experimental research.
Accelerated screening of carbon dioxide capture by liquid sorbents
The sustainability potential of carbon capture, concentration, and utilization technologies motivates accelerated discovery of carbon dioxide sorbents, for which we present a high throughput screening instrument.
Electrode Surface Heating with Organic Films Improves CO 2 Reduction Kinetics on Copper
Not Available
Event-driven data management with cloud computing for extensible materials acceleration platforms
Event-based data workflows powered by cloud computing can help accelerate the development of materials acceleration platforms while fostering the ideals of extensibility and interoperability in materials chemistry research.
Orchestrating nimble experiments across interconnected labs
Human researchers multi-task, collaborate, and share resources. HELAO-async is a multi-workflow automation software that helps realize these attributes in materials acceleration platforms.
High throughput identification of complex rutile alloys for the acidic oxygen evolution reaction
Non-precious metal catalysts for acidic OER typically require a high concentration of activity-promoting elements, e.g. , Mn. We describe the high throughput discovery of quinary oxide catalysts with low Mn concentration via mixing with Sb, Sn, and Ti.
Accelerated Characterization of Electrode‐Electrolyte Equilibration
Operational durability is poorly characterized by traditional (photo)electrocatalyst discovery workflows, creating a barrier to scale-up and deployment. Corrosion is a prominent degradation mechanism whose thermodynamics depend on the concentration of corrosion products in electrolyte. We present an automated system for characterizing the equilibration of (photo)electrodes with dissolved metals in electrolyte for a given electrode, pH, and electrochemical potential. Automation of electrode selection, electrolyte preparation, and electrolyte aliquoting enables rapid identification of self-passivating electrodes and estimation of the equilibrium dissolved metals concentrations. The technique is demonstrated for metal oxide photoanodes in alkaline electrolyte, where BiVO 4 is found to continually corrode, in agreement the literature. An amorphous Ni−Sb−O photoanode is found to passivate with a Ni-rich coating on the order of 1 monolayer with less than 1 μM total dissolved metals in electrolyte, demonstrating its suitability for durable photoelectrochemical operation. The automation and throughput of the instrument are designed for incorporation in accelerated electrocatalyst discovery workflows so that durability can be considered on equal footing with activity.