Semi-grand canonical Monte Carlo simulation of the acrolein induced surface segregation and aggregation of AgPd with machine learning surrogate models-Reference-Cited by-同舟云学术

Semi-grand canonical Monte Carlo simulation of the acrolein induced surface segregation and aggregation of AgPd with machine learning surrogate models

Published:2021-04-07 Issue:13 Volume:154 Page:134701
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Liu Mingjie¹,Yang Yilin¹,Kitchin John R.¹^ORCID

Affiliation:

1. Department of Chemical Engineering, Carnegie Mellon University, 5000 Forbes Ave., Pittsburgh, Pennsylvania 15213, USA

Funder

U.S. Department of Energy

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

https://aip.scitation.org/doi/am-pdf/10.1063/5.0046440

Reference44 articles.

1. Selective Hydrogenation of α,β-Unsaturated Aldehydes

2. Identification of active sites and influence of real structure of gold catalysts in the selective hydrogenation of acrolein to allyl alcohol

3. Air-Stable Gold Nanoparticles Ligated by Secondary Phosphine Oxides for the Chemoselective Hydrogenation of Aldehydes: Crucial Role of the Ligand

4. Concerted Chemoselective Hydrogenation of Acrolein on Secondary Phosphine Oxide Decorated Gold Nanoparticles

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