14 Result(s)
within
Dionisios G. Vlachos
Chemistry
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Article
A US perspective on closing the carbon cycle to defossilize difficult-to-electrify segments of our economy
Electrification to reduce or eliminate greenhouse gas emissions is essential to mitigate climate change. However, a substantial portion of our manufacturing and transportation infrastructure will be difficult ...
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Article
Progress and roadmap for electro-privileged transformations of bio-derived molecules
Biomass incorporates carbon captured from the atmosphere and can serve as a renewable feedstock for producing valuable chemicals and fuels. Here we look at how electrochemical approaches can impact biomass val...
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Open AccessNon-Oxidative Ethane Dehydrogenation in a Packed-Bed DBD Plasma Reactor
Plasma-assisted conversion of ethane (C2H6) can produce value-added chemical building blocks using green electricity. Here we employ a simple packed-bed coaxial dielectric barrier discharge (DBD) reactor to conve...
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Article
Open AccessLigninGraphs: lignin structure determination with multiscale graph modeling
Lignin is an aromatic biopolymer found in ubiquitous sources of woody biomass. Designing and optimizing lignin valorization processes requires a fundamental understanding of lignin structures. Experimental cha...
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Tuning at the subnanometre scale
Supported subnanometre catalysts are atom efficient and possess unique properties, but their structure–activity relations are not well understood. Now it is possible to reveal their structure sensitivity by co...
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Modulating the dynamics of Brønsted acid sites on PtWOx inverse catalyst
Brønsted acid sites on the oxide overlayers of metal–metal oxide inverse catalysts are often hypothesized to drive selective C–O bond activation. However, the Brønsted acid site nature and dynamics under worki...
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C–O bond activation using ultralow loading of noble metal catalysts on moderately reducible oxides
Selective C–O activation of multifunctional molecules is essential for many important chemical processes. Although reducible metal oxides are active and selective towards reductive C–O bond scission via the re...
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Hydrodeoxygenation of m-Cresol Over Pt-WOx/C Using H2 Generated In Situ by n-Hexane Dehydrogenation
Hydrodeoxygenation (HDO) of m-cresol using H2 produced by dehydrogenation of n-hexane to hexenes is demonstrated at 673 K over a Pt-WOx/C catalyst at 36 bar. The reaction is possible because deactivation of Pt/C ...
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Article
Fundamentals of C–O bond activation on metal oxide catalysts
Fundamental knowledge of the active site requirements for the selective activation of C–O bonds over heterogeneous catalysts is required to design multistep processes for the synthesis of complex chemicals. He...
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Article
Effects of correlated parameters and uncertainty in electronic-structure-based chemical kinetic modelling
Kinetic models based on first principles are becoming common place in heterogeneous catalysis because of their ability to interpret experimental data, identify the rate-controlling step, guide experiments and ...
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Comparison of Ethylene Glycol Steam Reforming Over Pt and NiPt Catalysts on Various Supports
Steam reforming of ethylene glycol (EG) was studied on Pt and NiPt catalysts supported on γ-Al2O3, TiO2, and carbon. On all supports bimetallic NiPt catalysts show higher activity for H2 production than the corre...
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Article
Catalysis Center for Energy Innovation for Biomass Processing: Research Strategies and Goals
Production of energy and chemicals from biomass is of critical importance in meeting some of the challenges associated with decreasing availability of fossil fuels and addressing global climate change. In the ...
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Article
Using first principles to predict bimetallic catalysts for the ammonia decomposition reaction
The facile decomposition of ammonia to produce hydrogen is critical to its use as a hydrogen storage medium in a hydrogen economy, and although ruthenium shows good activity for catalysing this process, its ex...
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Dominant Reaction Pathways in the Catalytic Partial Oxidation of CH4 on Rh
Reforming technologies are at the heart of converting fossil fuels and biofuels to syngas and hydrogen for novel energy applications and, among reforming technologies, catalytic partial oxidation is appealing ...
