Premium
Dual‐function catalysis in propane dehydrogenation over Pt 1 –Ga 2 O 3 catalyst: Insights from a microkinetic analysis
Author(s) -
Chang QingYu,
Wang KaiQi,
Hu Ping,
Sui ZhiJun,
Zhou XingGui,
Chen De,
Yuan WeiKang,
Zhu YiAn
Publication year - 2020
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.16232
Subject(s) - dehydrogenation , catalysis , propane , chemistry , bifunctional , selectivity , platinum , inorganic chemistry , hydrogen , density functional theory , chemical engineering , computational chemistry , organic chemistry , engineering
The kinetics of propane dehydrogenation over single‐Pt‐atom‐doped Ga 2 O 3 catalyst has been examined by combining density functional theory calculations and microkinetic analysis. The doping of Pt not only can improve the selectivity of the Ga 2 O 3 catalyst by hindering the deep dehydrogenation reactions but also helps to achieve a long‐term stability by improving the resistance of Ga 2 O 3 to hydrogen reduction. Microkinetic analysis indicates that upon Pt doping the turnover frequency for propane consumption is increased by a factor of 2.8 under typical operating conditions, as compared to the data on the pristine Ga 2 O 3 surface. The calculated results suggest that the Pt 1 –Ga 2 O 3 catalyst shows a bifunctional character in this reaction where the Pt–O site brings about dehydrogenation while the Ga–O site is active for desorbing H 2 , which provides a beautiful explanation for the previous experimental observation that even trace amounts of Pt can dramatically improve the catalytic performance of Ga 2 O 3 .