Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 152, Issue 10, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/5.0002902
Keywords
-
Funding
- Japan Society for the Promotion of Science [JP26105010, JP26105011, JP18H05519]
- Ministry of Education, Culture, Sports, Science, and Technology, Japan [JPMXP0112101003]
- Elements Strategy Initiative for Catalysts and Batteries
- WCU-ITB Sandwich Program
- Marubun Research Promotion Foundation
- Indonesian Ministry of Research, Technology, and Higher Education under World Class University (WCU) Program
Ask authors/readers for more resources
We present a density functional theory study of atomic and molecular adsorption on a single Pt atom deposited at the edges of graphene. We investigate geometric and electronic structures of atoms (H, C, N, and O) and molecules (O-2, CO, OH, NO, H2O, and OOH) on a variety of Pt deposited graphene edges and compare the adsorption states with those on a Pt(111) surface and on a Pt single atom. Furthermore, using the calculated adsorption energy and simple kinetic models, the catalytic activities of a Pt single-atom catalyst for the oxygen reduction reaction and CO oxidation are discussed.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available