Entropy in catalyst dynamics under confinement
Qiyuan Fan, Yun‐Pei Liu, H. Zhu, Fu‐Qiang Gong, Ye Wang, E Weinan, Xinhe Bao, Zhong‐Qun Tian, Jun Cheng
Abstract
accuracy. We observe an entropic effect owing to liquid-to-solid phase transitions of clusters at finite temperatures. More importantly, the confinement effect enhances the structural dynamics of the cluster and leads to a lower melting temperature than those of the bare cluster and cluster outside the CNT, consequently facilitating the reaction to occur at lower temperatures and preventing the catalyst from forming unfavorable oxides. Our work reveals the important influence of confinement on structural dynamics, providing useful insight into entropy in dynamic catalysis.
Topics & Concepts
CatalysisEntropy (arrow of time)Dynamics (music)Statistical physicsChemical physicsNanotechnologyChemistryPhysicsMaterials scienceThermodynamicsOrganic chemistryAcousticsMachine Learning in Materials ScienceCatalysis and Oxidation ReactionsAdvanced Chemical Physics Studies