The role of Mo species in Ni–Mo catalysts for dry reforming of methane
文献信息
Weiqiao Huang, Changgeng Wei
The Ni–Mo catalyst has attracted significant attention due to its excellent coke-resistance in dry reforming of methane (DRM) reaction, but its detailed mechanism is still vague. Herein, Mo-doped Ni (Ni–Mox) and MoOx adsorbed Ni surfaces (MoOx@Ni) are employed to explore the DRM reaction mechanism and the effect of coke-resistance. Due to the electron donor effect of Mo, the antibonding states below the Fermi level between Ni and C increase and the adsorption of C decrease, thereby inhibiting the carbonization of Ni. On account of the strong Mo and O interaction, more O atoms gather around Mo, which inhibits the oxidation of Ni and may promote the formation of MoOx species on the Ni–Mo catalyst. The presence of Mo–O species promotes the carbon oxidation, forming a unique redox cycle (MoOx ↔ MoOx−1) similar to the Mars–van Krevelen (MvK) mechanism, explaining the excellent anti-carbon deposition effect on the Ni–Mo catalyst.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.












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