Propane dehydrogenation by atomically thin platinum layer on pristine two-dimensional MXenes

Chu，Changqing1; Chen，Baoyu1; Li，Shenggang2; Sun，Yuhan2,3,4; Liu，Ke5,6

2023-09-01

10.1016/j.jcat.2023.06.031

Journal of Catalysis   Impact Factor & Quartile

0021-9517

1090-2694

Contradiction between catalytic activity and coking-resistivity of propane dehydrogenation (PDH) has been a major concern. Here, the potential of using pristine MXenes as supports in stabilizing Pt atomically thin noble metal layers (ATNLs) for catalyzing PDH was evaluated by first-principles calculations and microkinetic simulations. Various electronic structure analyses demonstrated that the MXenes could stabilize Pt ATNLs via strong metal–metal bonding, leading to expanded Pt lattice constants, and accumulated electron density on Pt. Consequently, MXene-supported Pt ATNLs favored propylene desorption over further dehydrogenation, contributing to higher propylene selectivity and anti-coking ability. In particular, the Pt ATNLs on MoC and WC showed comparable activity with the pure Pt (1 1 1) surface, but might improve the anti-coking ability by 4 to 6 orders of magnitude. Finally, propylene binding strength, which could be explained by the d-band theory, was identified as an effective indicator in determining PDH reactivity and anti-coking ability.

Catalyst descriptor DFT calculations Microkinetic simulations MXenes Propane dehydrogenation Pt ATNLs

SCI

English

Others

National Natural Science Foundation of China[U22B20149] ; Shenzhen Science and Technology Program[KQTD20180411143418361] ; National Natural Science of Foundation of China[22172188]

Chemistry ; Engineering

Chemistry, Physical ; Engineering, Chemical

WOS:001037970400001

ACADEMIC PRESS INC ELSEVIER SCIENCE

CHEMISTRY

2-s2.0-85163530864

Scopus

1.College of Electromechanical Engineering,Qingdao University of Science & Technology,Qingdao,266061,China
2.CAS Key Laboratory of Low-Carbon Conversion Science & Engineering,Shanghai Advanced Research Institute,Chinese Academy of Sciences,Shanghai,201210,China
3.Shanxi Research Institute,Huairou Research Laboratory,Taiyuan,030032,China
4.Institute of Carbon Neutrality,ShanghaiTech University,Shanghai,201210,China
5.College of Innovation and Entrepreneurship,Southern University of Science and Technology,Shenzhen,518055,China
6.Department of Chemistry,College of Science,Southern University of Science and Technology,Shenzhen,518055,China

Chu，Changqing,Chen，Baoyu,Li，Shenggang,et al. Propane dehydrogenation by atomically thin platinum layer on pristine two-dimensional MXenes[J]. Journal of Catalysis,2023,425:333-344.

Chu，Changqing,Chen，Baoyu,Li，Shenggang,Sun，Yuhan,&Liu，Ke.(2023).Propane dehydrogenation by atomically thin platinum layer on pristine two-dimensional MXenes.Journal of Catalysis,425,333-344.

Chu，Changqing,et al."Propane dehydrogenation by atomically thin platinum layer on pristine two-dimensional MXenes".Journal of Catalysis 425(2023):333-344.