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physics.chem-ph2022★ 14 cited
Understanding High-Temperature Chemical Reactions on Metal Surfaces
Pai Li, Xiongzhi Zeng, Zhenyu Li
Chemical reactions on metal surfaces are important in various processes such as heterogeneous catalysis and nanostructure growth. At moderate or lower temperatures, these reactions…
physics.chem-ph2020
Can High-Temperature Reactions Be Described by a Minimum Energy Path Model? Steric Hindrance Matters
Xiongzhi Zeng, Zongyang Qiu, Pai Li +2
High-temperature reactions widely exist in nature. However, they are difficult to be characterized either experimentally or computationally. The routinely used minimum energy path…