Effect of Ag and Pd promotion on CH4 selectivity in Fe(100) Fischer–Tröpsch catalysis
Literature Information
Jennifer Wilcox, David W. Ball
The current CO2 utilization market is dominated by enhanced oil recovery and urea manufacturing; yet, the scale of demand falls well short of that deemed necessary to make a significant impact on climate change. CO2 conversion to fuels, however, is a utilization technology that can theoretically match the scale of projected CO2 capture. Fischer–Tröpsch (FT) processing is a long-established technology for converting non-petroleum based precursors into transportation fuels and other valuable chemicals. Here, we report the effects of Pd and Ag doping on CH4 selectivity over Fe(100), a common FT catalyst, as these metals have shown potential in the direct conversion of co-fed CO2. Adsorption energies for pathway specific C1 and C2 species were weakened in the presence of Ag and Pd by ca. 0.55 eV and 0.35 eV, respectively. Further, while both Ag- and Pd-promoted surfaces show decreased CH4 production, Ag introduces a prohibitively high coupling barrier; thus, only Pd offered a decrease in CH4 selectivity (−36%) relative to unmodified Fe(100).
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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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