Frontier Molecular Orbital Based Analysis of Solid–Adsorbate Interactions over Group 13 Metal Oxide Surfaces-Reference-Cited by-同舟云学术

Frontier Molecular Orbital Based Analysis of Solid–Adsorbate Interactions over Group 13 Metal Oxide Surfaces

Published:2020-06-16 Issue:28 Volume:124 Page:15355-15365
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Liu Chong¹^ORCID,Li Yuxin¹,Takao Motoshi¹,Toyao Takashi¹²,Maeno Zen¹^ORCID,Kamachi Takashi²³^ORCID,Hinuma Yoyo⁴⁵^ORCID,Takigawa Ichigaku⁶⁷^ORCID,Shimizu Ken-ichi¹²^ORCID

Affiliation:

1. Institute for Catalysis, Hokkaido University, N-21, W-10, Sapporo 001-0021, Japan

2. Elements Strategy Initiative for Catalysts & Batteries, Kyoto University, Katsura, Kyoto 615-8520, Japan

3. Department of Life, Environment and Applied Chemistry, Fukuoka Institute of Technology (FIT), 3-30-1 Wajiro-Higashi, Higashi-ku, Fukuoka 819-0295, Japan

4. Center for Frontier Science, Chiba University, 1-33 Yayoicho, Inage, Chiba 263-8522, Japan

5. Institute of Innovative Research, Tokyo Institute of Technology, Yokohama 226-8502, Japan

6. RIKEN Center for Advanced Intelligence Project, 1-4-1 Nihonbashi, Chuo-ku, Tokyo 103-0027, Japan

7. Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, N-21, W-10, Sapporo, Hokkaido 001-0021, Japan

Funder

Ministry of Education, Culture, Sports, Science and Technology

Core Research for Evolutional Science and Technology

Japan Society for the Promotion of Science

Integrated Research Consortium on Chemical Sciences

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.0c04480

Reference70 articles.

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3. First-principles-based multiscale modelling of heterogeneous catalysis

4. The Role of Frontier Orbitals in Chemical Reactions (Nobel Lecture)

5. Surface molecules and chemisorption

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