A5039379015- Catalytic Processes in Materials Science
- Catalysis and Oxidation Reactions
- Catalysis and Hydrodesulfurization Studies
- Ammonia Synthesis and Nitrogen Reduction
- Machine Learning in Materials Science
- Advanced Chemical Physics Studies
- Electrocatalysts for Energy Conversion
- nanoparticles nucleation surface interactions
- Zeolite Catalysis and Synthesis
- Nanomaterials for catalytic reactions
- Thermochemical Biomass Conversion Processes
- Nonlinear Dynamics and Pattern Formation
- Catalysis for Biomass Conversion
- Spectroscopy and Quantum Chemical Studies
- Catalysts for Methane Reforming
- Innovative Microfluidic and Catalytic Techniques Innovation
- Carbon dioxide utilization in catalysis
- Theoretical and Computational Physics
- Electronic and Structural Properties of Oxides
- X-ray Diffraction in Crystallography
- Semiconductor materials and devices
- Advanced Photocatalysis Techniques
- Biofuel production and bioconversion
- Molecular Junctions and Nanostructures
- Hydrogen Storage and Materials
University of South Carolina
2016-2025
University of Delaware
2003-2014
Purdue University West Lafayette
1997-2003
University of California, Santa Barbara
1996-1997
Fritz Haber Institute of the Max Planck Society
1993-1997
University of Bayreuth
1992-1993
High throughput experimentation in heterogeneous catalysis provides an efficient solution to the generation of large datasets under reproducible conditions. Knowledge extraction from these has mostly been performed using statistical methods, targeting optimization catalyst formulations. The combination advanced machine learning methodologies with high-throughput enormous potential accelerate predictive discovery novel formulations that do not exist current design experiments. This...
Machine learning is an avenue to unravel multidimensional relationships present in catalytic systems. We describe a novel framework that incorporates machine algorithms with experimental high-throughput data and elemental properties discover new materials. The uses small dataset coupled chemically descriptive features predict future catalyst performance guide synthesis. This led the discovery of several compositions for ammonia decomposition, which were experimentally validated against...
As CO2 emissions are sharply increasing, processes for converting into value-added products becoming more desirable. Ruthenium-based catalysts the most active methanation; however, their substantially higher cost relative to transition metals makes them prohibitive industrial application. In this study, we demonstrate porous hexagonal boron nitride (pBN) supports (an ideal support material thermocatalysts due high thermal stability and conductivity) improve utilization of Ru simultaneously...
Herein, we report a highly carbon resistant nanotubular yolk–shell Pt-NiCe@SiO2 single-atom-alloy (SAA) catalyst for low-temperature dry reforming of methane (DRM). A synergetic combination the confined morphology and Pt–Ni SAA structures prevents formation provides excellent stability. The can impede deposition due to facile CO desorption from surface. Carbon be further minimized by 0.25 wt % Pt promotion, showing an stability 120 h during DRM at 500 °C. enhanced Pt0.25-NiCe@SiO2 attributed...
The hydrogenation of CO2 into useful chemicals provides an industrial-scale pathway for recycling. lack effective thermochemical catalysts currently precludes this process, since it is challenging to identify structures that can simultaneously exhibit high activity and selectivity reaction. Here, we report, the first time, use nitrogen-doped graphene quantum dots (NGQDs) as metal-free hydrogenation. nitrogen dopants, located at edge sites, play a key role in inducing thermocatalytic carbon...
The effect of boundaries on pattern formation was studied for the catalytic oxidation carbon monoxide platinum surfaces. Photolithography used to create microscopic reacting domains polycrystalline foils and single-crystal (110) surfaces with inert titanium overlayers. Certain domain geometries give rise patterns that have not been observed untreated catalyst bring light surface mechanisms no analog in homogeneous reaction-diffusion systems.
Active learning based on literature and experimental data enabled the discovery of highly active novel catalysts for ammonia synthesis. Pathway analysis implies that these activities have been achieved by both structural electronic promotion.
We present a major improvement to the Fourier-transform infrared (FTIR) imaging technique brought about by replacement of commonly used step-scan spectrometer with rapid-scanning spectrometer. This advancement dramatically decreases time required for data collection without decreasing quality. With this new instrumental setup, an set consisting 64x64 spectra 4-cm (-1) spectral resolution over 1360-cm range can be collected in 34 s. As practical example, we demonstrate what believe first...
The pace at which major technological changes take place is often dictated by the rate new materials are discovered, and timely arrival of has always played a key role in bringing advances to our society. It no wonder then that so-called combinatorial or high-throughput strategy been embraced practitioners science virtually every field. High-throughput experimentation allows simultaneous synthesis screening large arrays different materials. Pioneered pharmaceutical industry, method now...