A5019211034- Covalent Organic Framework Applications
- Machine Learning in Materials Science
- Metal-Organic Frameworks: Synthesis and Applications
- Ammonia Synthesis and Nitrogen Reduction
- CO2 Reduction Techniques and Catalysts
- Catalytic Processes in Materials Science
- Advanced Photocatalysis Techniques
- Computational Drug Discovery Methods
- Luminescence and Fluorescent Materials
- Advanced Graph Neural Networks
- Zeolite Catalysis and Synthesis
- Advanced battery technologies research
- Membrane Separation and Gas Transport
- Catalysts for Methane Reforming
- Carbon dioxide utilization in catalysis
- Topic Modeling
- Catalysis and Hydrodesulfurization Studies
- Catalysis and Oxidation Reactions
- ZnO doping and properties
- X-ray Diffraction in Crystallography
- Caching and Content Delivery
- Protein Structure and Dynamics
- Electrocatalysts for Energy Conversion
Rice University
2019-2024
National Taiwan University
2020
The design of electrocatalysts capable selectively reducing nitrate to ammonia is gaining interest as a means transforming waste into fertilizers. However, most prior investigations prototypical electrocatalysts, such polycrystalline Pd and Pt, have focused on unraveling the mechanisms responsible for selective reduction nitrogen gas. Such noble metals demonstrate notoriously low activity (nitrate nitrite) high nitrite (nitrite nitrogen). Here, we aim elucidate effect surface structure has...
Understanding the structure–catalytic activity relationship is crucial for developing new catalysts with desired performance. In this contribution, we report performance of In2O3 different crystal phases in reverse water gas shift (RWGS) reaction, where observe changing induced by a phase transition under reaction conditions. Cubic (c-In2O3) exhibits higher RWGS rate than hexagonal (h-In2O3) at temperatures below 350 °C because its (1) enhanced dissociative adsorption H2, (2) facile...
Significance Using electricity to reduce CO 2 or back into valuable liquid fuels can revolutionize the way we produce chemicals/fuels. However, there are two types of impurity challenges involved: Different products were typically cogenerated on Cu catalysts; in addition, those generated inevitably mixed with ion impurities electrolytes. By integrating rational design nanocube catalyst and porous solid electrolyte reactor, report a direct continuous generation high-purity acetic acid...
Three-dimensional (3D) covalent organic frameworks (COFs) possess higher surface areas, more abundant pore channels, and lower density compared to their two-dimensional counterparts which makes the development of 3D COFs interesting from a fundamental practical point view. However, construction highly crystalline COF remains challenging. At same time, choice topologies in is limited by crystallization problem, lack availability suitable building blocks with appropriate reactivity symmetries,...
Porphyrin-based donor–acceptor COFs are effective heterogeneous photocatalysts for photoinduced electron transfer-reversible addition–fragmentation chain transfer (PET-RAFT), including aqueous polymerizations and under red-light excitation.
There is a need for versatile and effective organic photocatalysts to enable variety of chemical transformations under mild reaction conditions, covalent frameworks (COFs) are promising crystalline, porous, sustainable materials use as heterogeneous photocatalysts. However, prior work with COF has focused primarily on two-dimensional rather than three-dimensional (3D) not demonstrated the catalysis both oxidative reductive transformations. In this work, we investigate photocatalytic...
Abstract Metal/oxide interactions mediated by charge transfer influence reactivity and stability in numerous heterogeneous catalysts. In this work, we use density functional theory (DFT) statistical learning (SL) to derive models for predicting how the adsorption strength of metal atoms on MgO(100) surfaces can be enhanced modifications support. its pristine form is relatively unreactive, thus ideal examining ways which electronic with metals enhanced, tuned, controlled. We find that...
Bio-ethanol is a renewable fuel and can be converted to high-values chemicals. This study showed that more aromatics gas products could obtained at low weight hourly space velocity (WHSV) than high WHSV using HZSM-5 Ni/HZSM-5 catalysts. A offered an increased tendency build up paraffins. Real bio-ethanol broth was tested gave the similar result as pure ethanol solution. That catalysts retain full catalytic activity after 168 h in reaction provides evidence for their long stability....
Feature selection (FS) methods often are used to develop data-driven descriptors (i.e., features) for rapidly predicting the functional properties of a physical or chemical system based on its composition and structure. FS algorithms identify from candidate pool feature space) built by engineering (FE) steps that construct complex features system's fundamental properties. Recursive FE, which involves repeated FE operations space, is necessary build with sufficient complexity capture behavior...