We develop a probabilistic theory for conversion of A→ B processes for a model Temporal Analysis of Products (TAP)-like experiments based on the general theory of Brownian motion with killing and the Feynman-Kac formula. Initial experimental testing for systems with a single catalyst particle is given, as well as numerical experiments for two-particle catalyst systems in simple geometric config...

Dimethyl ether (DME) has been considered as a promising alternative fuel for direct-feed fuel cells but lack of an efficient DME oxidation electrocatalyst has remained the challenge for the commercialization of the direct DME fuel cell. The commonly studied binary PtRu catalyst shows much lower activity in DME than methanol oxidation. In this work, guided by density functional theory (DFT) calc...

Summarization of electronic discussion fora is a unique challenge; techniques that work startlingly well on monolithic documents tend to fare poorly in this informal setting. Additionally, conventional techniques ignore much of the structures that have the potential to serve as valuable features in the summarization task. We present several novel examples of such features, including the catalys...

Rh/γ-Al₂O₃ catalysts were synthesized by both incipient wetness impregnation (IWI) and atomic layer deposition (ALD). The TEM images of the two catalysts showed that the catalyst from ALD had smaller particle size, and narrower size distribution. The surface chemical states of both catalysts were investigated by both XPS and X-ray Absorption Near Edge Structure (XANES), and the catalyst from IW...

For comparative means, a current Au-TiO 2 catalyst was used or order to benchmark current standards for nano-Au catalysts. The Aurolite® catalyst is currently the only commercially produced Au-TiO 2 catalyst comprising of 1% Au (by mass) loaded on P25 type TiO 2 comprising approximately 20% rutile and 80% anatase. A second batch of catalysts was examined where the catalyst composition was simil...

Predictive modeling has become a practical research tool in homogeneous catalysis. It can help to pinpoint 'good regions' in the catalyst space, narrowing the search for the optimal catalyst for a given reaction. Just like any other new idea, in silico catalyst optimization is accepted by some researchers and met with skepticism by others. The basic requirements for good predictive models are a...

The performance of a combined catalyst and sorbent material designed for reforming hydrocarbons was evaluated by reacting methane with steam at different temperatures and pressures in a reactor packed with the material. The combined material was in the form of small spherical pellets comprised of a sorbent core of lime encased in a porous shell made largely of sintered alumina that supported a ...

Improving the performance of oxygen reduction reaction (ORR) electrocatalysts is essential for the commercial efficacy of many renewable energy technologies, including low temperature polymer electrolyte fuel cells (PEFCs). Herein, we report highly active and stable carbon-supported Ru@Pt core-shell nanoparticles (Ru@Pt/C) prepared by a wet chemical synthesis technique. Through rotating disc el...

An ultra-high vacuum (UHV) setup for "real" and "inverse" model catalyst preparation, depth-resolved near-surface spectroscopic characterization, and quantification of catalytic activity and selectivity under technologically relevant conditions is described. Due to the all-quartz reactor attached directly to the UHV-chamber, transfer of the catalyst for in situ testing without intermediate cont...