An elucidation of the interaction between Pt particles and CeO2 surfaces using tight-binding quantum chemistry method

S. Jung; A. Suzuki; H. Tsuboi; N. Hatakeyama; A. Endou; H. Takaba; M. Kubo; A. Miyamoto

doi:10.1007/s11244-010-9508-6

An elucidation of the interaction between Pt particles and CeO₂ surfaces using tight-binding quantum chemistry method

S. Jung, A. Suzuki, H. Tsuboi, N. Hatakeyama, A. Endou, H. Takaba, M. Kubo, A. Miyamoto

Tohoku University

Research output: Contribution to journal › Article › peer-review

8 Citations (Scopus)

Abstract

To investigate the interaction between Pt particle and CeO₂ surface, we applied tight-binding quantum chemistry method to the study of electron and bonding state of Pt/CeO₂ system. We observed that the electron transfer between Pt and CeO₂ and the reduction of the Ce atoms influences the stability of Pt particle on CeO₂ surface.

Original language	English
Pages (from-to)	700-706
Number of pages	7
Journal	Topics in Catalysis
Volume	53
Issue number	7-10
DOIs	https://doi.org/10.1007/s11244-010-9508-6
Publication status	Published - 2010 Jun

Keywords

Bond energy
Orbital distribution
Partial density of states
Pt/CeO
Tight-binding quantum chemistry

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10.1007/s11244-010-9508-6

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abstract = "To investigate the interaction between Pt particle and CeO2 surface, we applied tight-binding quantum chemistry method to the study of electron and bonding state of Pt/CeO2 system. We observed that the electron transfer between Pt and CeO2 and the reduction of the Ce atoms influences the stability of Pt particle on CeO2 surface.",

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AU - Jung, S.

AU - Suzuki, A.

AU - Tsuboi, H.

AU - Hatakeyama, N.

AU - Endou, A.

AU - Takaba, H.

AU - Kubo, M.

AU - Miyamoto, A.

PY - 2010/6

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N2 - To investigate the interaction between Pt particle and CeO2 surface, we applied tight-binding quantum chemistry method to the study of electron and bonding state of Pt/CeO2 system. We observed that the electron transfer between Pt and CeO2 and the reduction of the Ce atoms influences the stability of Pt particle on CeO2 surface.

AB - To investigate the interaction between Pt particle and CeO2 surface, we applied tight-binding quantum chemistry method to the study of electron and bonding state of Pt/CeO2 system. We observed that the electron transfer between Pt and CeO2 and the reduction of the Ce atoms influences the stability of Pt particle on CeO2 surface.

KW - Bond energy

KW - Orbital distribution

KW - Partial density of states

KW - Pt/CeO

KW - Tight-binding quantum chemistry

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JO - Topics in Catalysis

JF - Topics in Catalysis

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ER -

An elucidation of the interaction between Pt particles and CeO₂ surfaces using tight-binding quantum chemistry method

Abstract

Keywords

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