A5078829660- CO2 Reduction Techniques and Catalysts
- Electrocatalysts for Energy Conversion
- Catalysis and Oxidation Reactions
- Catalytic Processes in Materials Science
- Ionic liquids properties and applications
- Electrochemical Analysis and Applications
- Carbon Dioxide Capture Technologies
- Advancements in Solid Oxide Fuel Cells
- Advanced battery technologies research
- Fuel Cells and Related Materials
- Green IT and Sustainability
- Semiconductor materials and devices
- Digital Transformation in Industry
- Air Quality Monitoring and Forecasting
- Semiconductor Lasers and Optical Devices
- Water Quality Monitoring and Analysis
- Molten salt chemistry and electrochemical processes
- Ammonia Synthesis and Nitrogen Reduction
- Semiconductor Quantum Structures and Devices
- Electronic and Structural Properties of Oxides
- Advanced Photocatalysis Techniques
- MXene and MAX Phase Materials
- Quantum Dots Synthesis And Properties
- Machine Learning in Materials Science
University of California, Los Angeles
2019-2024
University of Pennsylvania
2017-2019
We use density functional theory calculations to study a group of 2D materials known as MXenes toward the electrochemical nitrogen reduction reaction (NRR) ammonia. So far, all computational studies have only considered NRR chemistry on unfunctionalized (bare) MXenes. In this study, we investigate total 65 bare and functionalized establish free energy diagrams for basal planes 55 different M2XTx (M = Ti, V, Zr, Nb, Mo, Ta, W; X C, N) span large variety possible chemistries. Energy trends...
Abstract Decoupling and understanding the various mass, charge, heat transport phenomena involved in electrocatalytic transformation of small molecules (i.e., CO 2 , CO, H N NH 3 O CH 4 ) is challenging but it can be readily achieved using dimensionless quantities Reynolds, Sherwood, Schmidt, Damköhler, Nusselt, Prandtl, Peclet Numbers) to simplify characterization systems with multiple interacting physical phenomena. Herein we report development a gastight rotating cylinder electrode cell...
Electrochemical partial oxidation of methane to methanol is a promising approach the transformation stranded resources into high-value, easy-to-transport fuel or chemical. Transition metal oxides are potential electrocatalysts for this transformation. However, comprehensive and systematic study dependence activation rates selectivity on catalyst morphology experimental operating parameters has not been realized. Here, we describe an electrochemical method deposition family thin-film...
Conformal CaTiO3 films were deposited onto MgAl2O4 by atomic layer deposition (ALD) and then examined as "intelligent" catalyst supports for Ni in the steam CO2 reforming of methane. (1 nm) characterized scanning transmission electron microscopy XRD shown to be stable at least 1073 K. Catalysts with 1 20 wt % studied, it was found that, following calcination K, Ni-CaTiO3/MgAl2O4 catalysts required high-temperature reduction achieve activities comparable that their Ni/MgAl2O4 counterparts....
The field of electrocatalysis can play a transformative role in the utilization renewable electricity and sustainable production value‐added products. However, to enhance performance drive industrial applicability, electrocatalysts’ properties their evolution need be thoroughly understood characterized under relevant working conditions at industrially time‐scales. Laboratory‐based X‐ray absorption spectrometers are promising devices for accessible catalyst characterization, enabling...
Electrochemical reduction of carbon dioxide (CO2) has received increasing attention with the recent rise in awareness climate change and increase electricity supply from clean energy sources. However, because complexity its reaction mechanism largely unknown electron transfer pathways, development a first-principles-based operational model CO2 electrocatalytic reactor is still infancy. This work proposes methodology to develop feed-forward neural network (FNN) capture input–output...
<title>Abstract</title> A multi-scale first-principles transport-reaction model is derived for the electrochemical reduction of CO2 to fuels and chemicals on polycrystalline copper electrodes. The utilizes a continuous stirred-tank reactor (CSTR)-volume approximation that captures relative timescales mesoscale stochastic processes at electrode/electrolyte interface determine product selectivity. built starting from large experimental dataset obtained under broad range well-defined transport...
ZrO2 powders were modified by atomic layer deposition (ALD) with CeO2 and ZrO2, using Ce(TMHD)4 Zr(TMHD)4 as the precursors, in order to determine effect of ALD films on structure, surface area, catalytic properties ZrO2. Growth rates measured gravimetrically found be 0.017 nm/cycle for 0.031 The addition 20 cycles either or was stabilize area powder following calcination 1073 K suppress tetragonal-to-monoclinic transition. Shrinkage wafers also suppressed films. When used a support Pd CO...
Decoupling and understanding the various mass, charge heat transport phenomena involved in electrocatalytic transformation of small molecules (i.e. CO2, CO, H2, N2, NH3, O2, CH4) is challenging but it can be readily achieved using dimensionless quantities Reynolds, Sherwood, Schmidt, Damköhler, Nusselt, Prandtl, Peclet Numbers) to simplify characterization systems with multiple interacting physical phenomena. Herein we report development a gastight rotating cylinder electrode cell...
The scale-up of electrocatalytic processes is an emerging area research. Understanding the complexity multiple mass, momentum, charge, and heat transport how these affect reaction kinetics at interface between electrode electrolyte are one major challenges in field energy catalysis. rapid rational systems to industrial scales requires a detailed understanding nonlinear transport-reaction processes, accessible only through building multi-physics models that capture with high fidelity...