Metastable Structures in Cluster Catalysis from First-Principles: Structural Ensemble in Reaction Conditions and Metastability Triggered Reactivity-Reference-Cited by-同舟云学术

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Metastable Structures in Cluster Catalysis from First-Principles: Structural Ensemble in Reaction Conditions and Metastability Triggered Reactivity

Published:2018-02-20 Issue:8 Volume:140 Page:2812-2820
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Sun Geng¹,Sautet Philippe¹²^ORCID

Affiliation:

1. Department of Chemical and Biomolecular Engineering, University of California, Los Angeles, Los Angeles, California 90095, United States

2. Department of Chemistry and Biochemistry, University of California, Los Angeles, Los Angeles, California 90095, United States

Funder

University of California, Los Angeles

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/jacs.7b11239

Reference81 articles.

1. Finding optimal surface sites on heterogeneous catalysts by counting nearest neighbors

2. Structures and structural evolution of Ptn (n=15–24) clusters with combined density functional and genetic algorithm methods

3. Low-Energy Structures of Binary Pt–Sn Clusters from Global Search Using Genetic Algorithm and Density Functional Theory

4. A genetic algorithm for first principles global structure optimization of supported nano structures

5. A DFT-based genetic algorithm search for AuCu nanoalloy electrocatalysts for CO2 reduction

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