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Photothermal catalysis has attracted great attention owing to high solar energy utilization efficiency, and great progress has been achieved in gas‐phase catalysis. However, photothermal catalysis in liquid‐phase shows a limited performance, due to high specific heat capacity of liquid. Herein, an interfacial photothermal catalytic (IPC) strategy applying an IPC leaf was designed for liquid‐phase...
We develop a simulation toolset employing density functional theory in conjunction with grand canonical Monte Carlo (GCMC) to study coke formation on Fe‐based catalysts during propane dehydrogenation (PDH). As expected, pure Fe surfaces develop stable graphitic coke structures and rapidly deactivate. We find that coke formation is markedly less favorable on Fe3C and FeS surfaces. Fe‐Al alloys display...