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[期刊论文]

Spillover Dynamics in Heterogeneous Catalysis on Singe-Atom Alloys: A Theoretical Perspective

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author:

Lin, Sutao (Lin, Sutao.) [1] | Xiong, Rui (Xiong, Rui.) [2] | Chen, Jun (Chen, Jun.) [3] | Unfold

Indexed by:

EI

Abstract:

Recent advances in single-atom alloy (SAA) catalysts provide a unique platform for understanding spillover, due to the well-defined nature of the active site for dissociative chemisorption. In particular, the use of spilled adsorbates following molecular dissociation on the host metal surface facilitates the generation of high-value chemicals in subsequent catalytic reactions. Nevertheless, the factors that control the spillover process remain to be fully elucidated. This perspective discusses recent theoretical advances in the spillover dynamics on SAAs, with a particular focus on the dissociation and spillover processes of H2 and CH4. It provides valuable insights into how various factors, such as energy transfer, nuclear quantum effects, gas-adsorbate interactions, and adsorbate size, impact the diffusion behavior of hydrogen and methyl species on SAA surfaces. The article concludes with a discussion of future prospects. This perspective underscores the significance of spillover dynamics in heterogeneous catalysis, with important implications for improving catalytic performance. © 2025 Wiley Periodicals LLC.

Keyword:

Adsorbates Photons

Community:

  • [ 1 ] [Lin, Sutao]State Key Laboratory of Photocatalysis on Energy and Environment, College of Chemistry, Fuzhou University, Fuzhou, China
  • [ 2 ] [Xiong, Rui]State Key Laboratory of Photocatalysis on Energy and Environment, College of Chemistry, Fuzhou University, Fuzhou, China
  • [ 3 ] [Chen, Jun]State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, China
  • [ 4 ] [Chen, Jun]Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen, China
  • [ 5 ] [Lin, Sen]State Key Laboratory of Photocatalysis on Energy and Environment, College of Chemistry, Fuzhou University, Fuzhou, China
  • [ 6 ] [Lin, Sen]Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen, China

Reprint 's Address:

  • [chen, jun]state key laboratory of structural chemistry, fujian institute of research on the structure of matter, chinese academy of sciences, fuzhou, china;;[chen, jun]fujian provincial key laboratory of theoretical and computational chemistry, xiamen, china

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Source :

Wiley Interdisciplinary Reviews: Computational Molecular Science

ISSN: 1759-0876

Year: 2025

Issue: 2

Volume: 15

1 6 . 8 0 0

JCR@2023

CAS Journal Grade:1

Cited Count:

WoS CC Cited Count:

30 Days PV: 1

Affiliated Colleges:

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管理员  2025-06-03 12:02:32  创建

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