TY - JOUR
T1 - Theoretical studies of hydrogen spillover mechanism for developing next generation automobile catalyst
T2 - 240th ACS National Meeting and Exposition
AU - Ahmed, Farouq
AU - Muira, Ryuji
AU - Suzuki, Ai
AU - Tsuboi, Hideyuki
AU - Hatakeyama, Nozomu
AU - Endou, Akira
AU - Takaba, Hiromitsu
AU - Kubo, Momoji
AU - Miyamoto, Akira
PY - 2010/12/1
Y1 - 2010/12/1
N2 - Hydrogen spillover mechanism has earned intensive interest in the past decades because it plays a vital role in emerging technologies for the reduction of NOx in automobile exhausts. Hydrogen spillover arises in hydrogen-catalyzed reactions on supported metal catalyst. In the present study, we applied quantum chemical molecular dynamics (QCMD) to investigate the mechanism of the hydrogen spillover process on Pt/g-Al2O3 and on Pt/CeO2 catalyst surfaces for the first time. The direct observation of dissociative adsorption of hydrogen and diffusion of hydrogen on Pt/g-Al2O3 and Pt/CeO2 catalyst surfaces were successfully investigated. The diffusion of the hydrogen atom in the gas phase explains high reactivity observed in hydrogen spillover mechanism. The present study also indicates that the CeO2 catalyst support has the strong metal support interaction on Pt, which may enhance the metal catalyst dispersions and rate of hydrogen spillover reaction.
AB - Hydrogen spillover mechanism has earned intensive interest in the past decades because it plays a vital role in emerging technologies for the reduction of NOx in automobile exhausts. Hydrogen spillover arises in hydrogen-catalyzed reactions on supported metal catalyst. In the present study, we applied quantum chemical molecular dynamics (QCMD) to investigate the mechanism of the hydrogen spillover process on Pt/g-Al2O3 and on Pt/CeO2 catalyst surfaces for the first time. The direct observation of dissociative adsorption of hydrogen and diffusion of hydrogen on Pt/g-Al2O3 and Pt/CeO2 catalyst surfaces were successfully investigated. The diffusion of the hydrogen atom in the gas phase explains high reactivity observed in hydrogen spillover mechanism. The present study also indicates that the CeO2 catalyst support has the strong metal support interaction on Pt, which may enhance the metal catalyst dispersions and rate of hydrogen spillover reaction.
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M3 - Conference article
AN - SCOPUS:79951475833
JO - ACS National Meeting Book of Abstracts
JF - ACS National Meeting Book of Abstracts
SN - 0065-7727
Y2 - 22 August 2010 through 26 August 2010
ER -