ArticleACS catalysis2025
First-Principles Kinetic Monte Carlo Simulations for Single-Cluster Catalysis: Study of CO
Article in ACS catalysis, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
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Who cites it
3 citing papers in PubMed.
- Overcoming Imaging Limitations: 4D-STEM Pair Distribution Function for Resolving Structure of Supported PtSmall methods · 2026Article
- A General Stiffness-Scaling Framework for Accelerating Graph-Theoretical Kinetic Monte Carlo Simulations.Journal of chemical theory and computation · 2025Article
- ZacrosTools: A Python Library for Automated Preparation, Analysis, and Visualization of Kinetic Monte Carlo Simulations with Zacros.The journal of physical chemistry. A · 2025Article
Corrections and comments
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Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The deposition of small transition metal (TM) clusters on transition metal carbides (TMC) gives rise to bifunctional catalysts with multiple active sites. This family of single-cluster catalysts (SCCs) offers exciting opportunities for enabling a wider range of chemical reactions owing to their strong metal-support interactions, which drastically modify the catalytic properties of the supported metal atoms. In this work, we use first-principles Kinetic Monte Carlo (KMC) simulations to investigate the conversion of CO
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Registered trials
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