Alleviating inhibitory effect of H2 on low-temperature water-gas shift reaction activity of Pt/CeO2 catalyst by forming CeO2 nano-patches on Pt nano-particles

Catalytic deoxygenation of stearic acid into olefins over Pt catalysts supported on MOF-derived metal oxides

“…4 One is decarboxylation, whereby the fatty acid is converted into alkanes and CO 2 , while the other is decarbonylation, whereby the fatty acid is converted into alkenes/olefins, water, and CO. 59 During the catalytic reaction, CO can be reacted with H 2 O to form CO 2 and H 2 through the water-gas shift (WGS) reaction (as summarized in Scheme 2). 65 Coincidentally, the CeO 2 -based catalyst like Pt/CeO 2 appears to be an excellent catalyst for this reaction as well, 66,67 which explains the formation of H 2 in situ. Meanwhile, the intensity of the peak at 1560 cm −1 , which is attributed to the CC stretching of aromatics, 59 was also observed to increase with time, indicating the formation of aromatics in addition to olefins on Pt/CeO 2 , as shown in Fig.…”

Role of an Interface for Hydrogen Production Reaction over Size-Controlled Supported Metal Catalysts

“…When the size of a metal NP is reduced, the fraction of low-CN sites on the NP surface, such as of step-edge, kink, and vertex, increases (Figure c). − Among the several characteristic surface models, Pd(211) was selected to study the low-CN site (Figure b) because it is the simplest surface model with a step-edge site (CN = 7) that has been successful in investigating the catalytic activity of size-controlled metal NPs for many reactions, including CO 2 reduction, dry reforming of methane, and propane dehydrogenation. − Moreover, assuming that the supported Pd NPs are hemisphere-shaped, the fraction of the Pd-Co 3 O 4 interfacial site will also increase as the NP size decreases (Figure c). According to previous works, explicitly modeling the interface is essential for a precise investigation of the role of the interface in the WGSR because the interface is highly likely to have an important catalytic role. − To obtain the interface model, Pd atoms should be deposited on the support. Since even <10 atoms can give rise to a large number of possible configurations on the surface, extensive manual exploration of the possibilities using DFT calculations is impractical.…”

“…Supported metal catalysts have been reported to significantly catalyze the WGSR. ,− Thus, origins of high WGSR activity have been widely studied. Zhao et al provided mechanistic insights into the role of a metal–support interface by discovering that the formation of a Au–MgO interface reduces the barrier of a prohibitively difficult H 2 O dissociation step on the Au metal surface, resulting in high WGSR activity .…”

Exploring the stable structures of cerium oxide nanoclusters using high-dimensional neural network potential

“…With unique redox properties, which are crucial for many applications, CeO 2 -based materials have been widely used in fuel cells, water splitting, water–gas shift reactions, and others. 1–9 The unique redox properties of cerium oxides are mainly related to oxygen vacancies and Ce 3+ ions. 10–12 In the past decade, nanoscale cerium oxides have received more attention than bulk materials because of their higher reactivity.…”