Christopher Hahn
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View article: Integrated CO <sub>2</sub> Capture and Conversion to Formate with a Molecular Platinum Bis(diphosphine) Electrocatalyst
Integrated CO <sub>2</sub> Capture and Conversion to Formate with a Molecular Platinum Bis(diphosphine) Electrocatalyst Open
Carbon dioxide is a potentially valuable feedstock for carbon-based fuels or commodities but is only available in dilute streams. Many studies have focused on either the capture and concentration of CO2 or the reduction of pure …
View article: Understanding cation and surface charging effects at electrified interfaces using neural network interatomic potentials
Understanding cation and surface charging effects at electrified interfaces using neural network interatomic potentials Open
Electrified interfaces are at the heart of electrochemical processes related to several technologically important applications, yet they remain poorly understood. This lack of understanding is primarily due to their complex and dynamic nat…
View article: Understanding cation and surface charging effects at electrified interfaces using neural network interatomic potentials
Understanding cation and surface charging effects at electrified interfaces using neural network interatomic potentials Open
Electrified interfaces are at the heart of electrochemical processes related to several technologically important applications, yet they remain poorly understood. This lack of understanding is primarily due to their complex and dynamic nat…
View article: Best practices for in-situ and operando techniques within electrocatalytic systems
Best practices for in-situ and operando techniques within electrocatalytic systems Open
In-situ and operando techniques in heterogeneous electrocatalysis are a powerful tool used to elucidate reaction mechanisms. Ultimately, they are key in determining concrete links between a catalyst's physical/electronic structure and its …
View article: Insights into the Electrochemical Oxidation and Reduction of Nickel Oxide Surfaces
Insights into the Electrochemical Oxidation and Reduction of Nickel Oxide Surfaces Open
Surface oxidation/reduction processes, driven by varying electrochemical potentials, can substantially impact catalyst effectiveness and, consequently, electrolyzer performance. This study combines theoretical and experimental approaches t…
View article: Assessing the Sensitivity of Pourbaix Diagrams to Computational Protocols: Electrochemical Stability of Ni Oxides as a Case Study
Assessing the Sensitivity of Pourbaix Diagrams to Computational Protocols: Electrochemical Stability of Ni Oxides as a Case Study Open
Pourbaix diagrams stand as a useful tool in assessing and visualizing materials’ electrochemical stability and are widely used for electrocatalyst design. However, their reliability hinges on the accuracy of the chemical potentials of invo…
View article: Controlling Mass Transport in Direct Carbon Dioxide Zero-Gap Electrolyzers via Cell Compression
Controlling Mass Transport in Direct Carbon Dioxide Zero-Gap Electrolyzers via Cell Compression Open
The integration of renewable energy with industrially relevant CO 2 electrolyzers provides a promising pathway to achieving sustainable fuels and chemical generation. In this work, mass transport phenomena in a zero-gap membrane-electrode-…
View article: Mechanistic Insights into the Electrochemical Oxidation of 5-Hydroxymethylfurfural on a Thin Film Ni Anode
Mechanistic Insights into the Electrochemical Oxidation of 5-Hydroxymethylfurfural on a Thin Film Ni Anode Open
Oxygen evolution reaction (OER) in ambient electrolyzers consumes a significant amount of energy and yields oxygen, an inherently low-value product. Therefore, it is imperative to choose anodic reactions that can make efficient use of the …
View article: Scalable physics-guided data-driven component model reduction for steady Navier-Stokes flow
Scalable physics-guided data-driven component model reduction for steady Navier-Stokes flow Open
Computational physics simulation can be a powerful tool to accelerate industry deployment of new scientific technologies. However, it must address the challenge of computationally tractable, moderately accurate prediction at large industry…
View article: Scaled-up prediction of steady Navier-Stokes equation with component reduced order modeling
Scaled-up prediction of steady Navier-Stokes equation with component reduced order modeling Open
Scaling up new scientific technologies from laboratory to industry often involves demonstrating performance on a larger scale. Computer simulations can accelerate design and predictions in the deployment process, though traditional numeric…
View article: Corrosion and Enhanced Hydrogen Evolution in Electrochemical Reduction of Ammonium Carbamate on Transition Metal Surfaces
Corrosion and Enhanced Hydrogen Evolution in Electrochemical Reduction of Ammonium Carbamate on Transition Metal Surfaces Open
Experiments and theory are combined to search for catalyst activity and stability descriptors for the direct reactive capture and conversion (RCC) of CO2 in ammonia capture solutions using Cu, Ag, Au, Sn, and Ti electrodes. Two …
View article: Mechanistic Insights into the Electrochemical Oxidation of 5-Hydroxymethylfurfural on a Thin-Film Ni Anode
Mechanistic Insights into the Electrochemical Oxidation of 5-Hydroxymethylfurfural on a Thin-Film Ni Anode Open
The electrochemical oxidation of alcohols is being explored as a favorable substitute for the oxygen evolution reaction owing to its capability to generate high-value products and lower overpotentials. Herein, we present a systematic inves…
View article: Undecided State Dynamics with Stubborn Agents
Undecided State Dynamics with Stubborn Agents Open
In the classical Approximate Majority problem with two opinions there are agents with Opinion 1 and with Opinion 2. The goal is to reach consensus and to agree on the majority opinion if the bias is sufficiently large. It is well known tha…
View article: Corrosion and Enhanced Hydrogen Evolution in Electrochemical Reduction of Ammonium Carbamate on Transition Metal Surfaces
Corrosion and Enhanced Hydrogen Evolution in Electrochemical Reduction of Ammonium Carbamate on Transition Metal Surfaces Open
Experiments and theory are combined to search for catalyst activity and stability descriptors for the direct reactive capture and conversion (RCC) of CO2 in ammonia capture solutions using Cu, Ag, Au, Sn and Ti electrodes. Two major phenom…
View article: Advancing carbon capture from bench to pilot scale using dynamic similitude
Advancing carbon capture from bench to pilot scale using dynamic similitude Open
View article: Train small, model big: Scalable physics simulators via reduced order modeling and domain decomposition
Train small, model big: Scalable physics simulators via reduced order modeling and domain decomposition Open
View article: Autoformalizing Natural Language to First-Order Logic: A Case Study in Logical Fallacy Detection
Autoformalizing Natural Language to First-Order Logic: A Case Study in Logical Fallacy Detection Open
Translating natural language into formal language such as First-Order Logic (FOL) is a foundational challenge in NLP with wide-ranging applications in automated reasoning, misinformation tracking, and knowledge validation. In this paper, w…
View article: Modeling Planar Electrodes and Zero‐Gap Membrane Electrode Assemblies for CO<sub>2</sub> Electrolysis
Modeling Planar Electrodes and Zero‐Gap Membrane Electrode Assemblies for CO<sub>2</sub> Electrolysis Open
Invited for this issue's Front Cover are researchers from the Carbon Initiative at Lawrence Livermore National Laboratory and the SUNCAT Center at Stanford University. The front cover shows a cross‐section of the cathode of a membrane elec…
View article: Front Cover: Modeling Planar Electrodes and Zero‐Gap Membrane Electrode Assemblies for CO<sub>2</sub> Electrolysis (ChemElectroChem 7/2024)
Front Cover: Modeling Planar Electrodes and Zero‐Gap Membrane Electrode Assemblies for CO<sub>2</sub> Electrolysis (ChemElectroChem 7/2024) Open
Graphical Abstract The Front Cover shows a cross-section of the cathode of a membrane electrode assembly for CO2 electrolysis looking down the feed channel. CO2 molecules flow down the channel and diffuse up through the gas diffusion layer…
View article: Importance of Site Diversity and Connectivity in Electrochemical CO Reduction on Cu
Importance of Site Diversity and Connectivity in Electrochemical CO Reduction on Cu Open
Electrochemical CO2 reduction on Cu is a promising approach to produce value-added chemicals using renewable feedstocks, yet various Cu preparations have led to differences in activity and selectivity toward single and multicarb…
View article: NeuroSynt: A Neuro-symbolic Portfolio Solver for Reactive Synthesis
NeuroSynt: A Neuro-symbolic Portfolio Solver for Reactive Synthesis Open
We introduce NeuroSynt, a neuro-symbolic portfolio solver framework for reactive synthesis. At the core of the solver lies a seamless integration of neural and symbolic approaches to solving the reactive synthesis problem. To ensure soundn…
View article: Modeling Planar Electrodes and Zero‐Gap Membrane Electrode Assemblies for CO<sub>2</sub> Electrolysis
Modeling Planar Electrodes and Zero‐Gap Membrane Electrode Assemblies for CO<sub>2</sub> Electrolysis Open
Multiphysics modeling enables probing of conditions inside a CO 2 electrolyzer that are difficult to measure, such as local concentrations and pH, as well as rapid testing of possible design changes. A one‐dimensional model for a zero‐gap …
View article: Direct Electrochemical Reduction of Ammonium Carbamate on Transition Metal Surfaces: Finding Activity and Stability Descriptors beyond those for CO2 Reduction
Direct Electrochemical Reduction of Ammonium Carbamate on Transition Metal Surfaces: Finding Activity and Stability Descriptors beyond those for CO2 Reduction Open
Experiments and theory are combined to search for catalyst activity and stability descriptors for the direct reactive capture and conversion (RCC) of CO2 in ammonia capture solutions using Cu, Ag, Au, Sn and Ti electrodes. Two major phenom…
View article: Reactive capture and electrochemical conversion of CO<sub>2</sub> with ionic liquids and deep eutectic solvents
Reactive capture and electrochemical conversion of CO<sub>2</sub> with ionic liquids and deep eutectic solvents Open
Ionic liquids (ILs) and deep eutectic solvents (DESs) have tremendous potential for reactive capture of CO 2 , due to their highly properties, including a wide electrochemical stability window, low volatility, and high CO 2 solubility.
View article: NeuroSynt: A Neuro-symbolic Portfolio Solver for Reactive Synthesis
NeuroSynt: A Neuro-symbolic Portfolio Solver for Reactive Synthesis Open
We introduce , a neuro-symbolic portfolio solver framework for reactive synthesis. At the core of the solver lies a seamless integration of neural and symbolic approaches to solving the reactive synthesis problem. To ensure soundness, the …
View article: nl2spec: Interactively Translating Unstructured Natural Language to Temporal Logics with Large Language Models
nl2spec: Interactively Translating Unstructured Natural Language to Temporal Logics with Large Language Models Open
A rigorous formalization of desired system requirements is indispensable when performing any verification task. This often limits the application of verification techniques, as writing formal specifications is an error-prone and time-consu…
View article: Scaled-Up Prediction of Steady Navier-Stokes Equation with Component Reduced Order Modeling
Scaled-Up Prediction of Steady Navier-Stokes Equation with Component Reduced Order Modeling Open
View article: Importance of Site Diversity and Connectivity in Electrochemical CO Reduction on Cu
Importance of Site Diversity and Connectivity in Electrochemical CO Reduction on Cu Open
Electrochemical CO2 reduction on Cu is a promising approach to produce value-added-chemicals using renewable feedstocks, yet various Cu preparations have led to differences in activity and selectivity towards single and multi-carbon produc…
View article: Train Small, Model Big: Scalable Physics Simulators via Reduced Order Modeling and Domain Decomposition
Train Small, Model Big: Scalable Physics Simulators via Reduced Order Modeling and Domain Decomposition Open
Numerous cutting-edge scientific technologies originate at the laboratory scale, but transitioning them to practical industry applications is a formidable challenge. Traditional pilot projects at intermediate scales are costly and time-con…
View article: Atomic Layer Deposition of Cu Electrocatalysts on Gas Diffusion Electrodes for CO<sub>2</sub> Reduction
Atomic Layer Deposition of Cu Electrocatalysts on Gas Diffusion Electrodes for CO<sub>2</sub> Reduction Open
Electrochemical reduction of CO2 using Cu catalysts enables the synthesis of C2+ products including C2H4 and C2H5OH. In this study, Cu catalysts were fabricated using plasma…