Elucidation of CO Oxidation and CO<sub>2</sub> Desorption Dynamics on Pt(111) by van der Waals DFT Calculations: Hyperthermal Kinetic Energy, Sharp Desorption Angle, and Excited Vibrational States-Reference-Cited by-同舟云学术

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Elucidation of CO Oxidation and CO₂ Desorption Dynamics on Pt(111) by van der Waals DFT Calculations: Hyperthermal Kinetic Energy, Sharp Desorption Angle, and Excited Vibrational States

Published:2024-09-04 Issue: Volume: Page:
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Li Hongyu¹,Kataoka Yuta¹^ORCID,Tanaka Shunsuke¹^ORCID,Haruyama Jun¹^ORCID,Sugino Osamu¹^ORCID,Yoshinobu Jun¹^ORCID

Affiliation:

1. The Institute for Solid State Physics, The University of Tokyo, 5-1-5, Kashiwanoha, Kashiwa, Chiba 277-8581, Japan

Funder

Ministry of Education, Culture, Sports, Science and Technology

Core Research for Evolutional Science and Technology

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.4c03538

Reference100 articles.

1. The Basis and Applications of Heterogenuous Catalysis

2. Adsorption structures and energetics of molecules on metal surfaces: Bridging experiment and theory

3. A benchmark database for adsorption bond energies to transition metal surfaces and comparison to selected DFT functionals

4. DFT-Based Method for More Accurate Adsorption Energies: An Adaptive Sum of Energies from RPBE and vdW Density Functionals

5. CO2 adsorption on the copper surfaces: van der Waals density functional and TPD studies

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