Combined Automated Reaction Pathway Searches and Sparse Modeling Analysis for Catalytic Properties of Lowest Energy Twins of Cu13-Reference-Cited by-同舟云学术

Combined Automated Reaction Pathway Searches and Sparse Modeling Analysis for Catalytic Properties of Lowest Energy Twins of Cu13

Published:2018-12-12 Issue:1 Volume:123 Page:210-217
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Iwasa Takeshi¹²³^ORCID,Sato Takaaki²,Takagi Makito²,Gao Min²³⁴,Lyalin Andrey⁵^ORCID,Kobayashi Masato¹²³⁶^ORCID,Shimizu Ken-ichi³⁴^ORCID,Maeda Satoshi¹²³⁷^ORCID,Taketsugu Tetsuya¹²³⁵⁷^ORCID

Affiliation:

1. Department of Chemistry, Faculty of Science, Hokkaido University, Sapporo 060-0810, Japan

2. Graduate School of Chemical Sciences and Engineering, Hokkaido University, Sapporo 060-0810, Japan

3. ESICB, Kyoto University, Kyoto 615-8245, Japan

4. Institute for Catalysis, Hokkaido University, Sapporo 001-0021, Japan

5. GREEN, National Institute for Materials Science, Tsukuba 305-0044, Japan

6. PRESTO, Japan Science and Technology Agency, Kawaguchi 332-0012, Japan

7. Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, Sapporo 001-0021, Japan

Funder

Ministry of Education, Culture, Sports, Science and Technology

Precursory Research for Embryonic Science and Technology

Japan Society for the Promotion of Science

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jpca.8b08868

Reference64 articles.

1. Reactivity of Metal Clusters

2. Metal Catalysts for Heterogeneous Catalysis: From Single Atoms to Nanoclusters and Nanoparticles

3. Gold catalysts prepared by coprecipitation for low-temperature oxidation of hydrogen and of carbon monoxide

4. Size- and support-dependency in the catalysis of gold

5. Chemical and Catalytic Properties of Size-Selected Free and Supported Clusters

Cited by 19 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Mechanistic Study on NH₃ Decomposition over Cu-Exchanged CHA Zeolites Using Automated Reaction Route Mapping Combined with Neural Network Potential and Density Functional Theory Calculations;The Journal of Physical Chemistry C;2024-07-25

2. A human-machine interface for automatic exploration of chemical reaction networks;Nature Communications;2024-05-01

3. Catalytic valorization of glycerol in the absence of external hydrogen: Effect of the Cu/ZrO2 catalyst mass and solvent;Catalysis Today;2023-11

4. Characterizing Reaction Route Map of Realistic Molecular Reactions Based on Weight Rank Clique Filtration of Persistent Homology;Journal of Chemical Theory and Computation;2023-07-03

5. Enhancement of CO adsorption energy on defective graphene-supported Cu13 cluster and prediction with an induction energy model;Applied Surface Science;2023-04