• Beyond the Reverse Horiuti–Polanyi Mechanism in Propane Dehydrogenation over Pt Catalysts. 

      Xiao, Lin; Shan, , Y.-L; Sui, Zhi jun; Chen, De; Zhou, Xinggui; Yuan, Wei-kang; Zhu, Yi-an (Peer reviewed; Journal article, 2020)
      The catalytic dehydrogenation of light alkanes over Pt catalysts is generally accepted to follow a reverse Horiuti–Polanyi mechanism. Using a microkinetic analysis in combination with results from density functional theory ...
    • Coke Formation on Pt–Sn/Al2O3 Catalyst for Propane Dehydrogenation 

      Wang, Haizhi; Sun, Lili; Sui, Zhi Jun; Zhu, Yi-an; Ye, Guanghua; Chen, De; Zhou, Xing-Gui; Yuan, Wei-kang (Journal article; Peer reviewed, 2018)
      Catalyst deactivation by coking is one major problem for propane dehydrogenation (PDH). To develop catalysts with high resistance to coke, the analysis of coke becomes essential. In this work, an analysis procedure is ...
    • Dual-function catalysis in propane dehydrogenation over Pt-1-Ga2O3 catalyst: Insights from a microkinetic analysis 

      Cheng, Q. Y.; Wang, K. Q.; Hu, P.; Sui, Z. J.; Zhou, Xinggui; Chen, De; Yuan, Wei-kang; Zhu, Yi-an (Peer reviewed; Journal article, 2020)
      The kinetics of propane dehydrogenation over single‐Pt‐atom‐doped Ga2O3 catalyst has been examined by combining density functional theory calculations and microkinetic analysis. The doping of Pt not only can improve the ...
    • Origin of Chemisorption Energy Scaling Relations over Perovskite Surfaces 

      Li, Yang; Cheng, W; Sui, Zhi jun; Zhou, Xinggui; Chen, De; Yuan, Wei-kang; Zhu, Yi-an (Journal article; Peer reviewed, 2019)
      Rationally tailored perovskites ABO3 are promising substitutes for expensive noble-metal catalysts in heterogeneous catalysis. In this contribution, the BEEF-vdW + U method has been used to examine the adsorption of H, C, ...
    • Tailoring of Fe/MnK-CNTs Composite Catalysts for the Fischer–Tropsch Synthesis of Lower Olefins from Syngas 

      Chen, Bingxu; Zhang, Xinxin; Wenyao, Chen; Wang, Di; Song, Nan; Qian, Gang; Duan, Xuezhi; Yang, Jia; Chen, De; Yuan, Wei-kang; Zhou, Xinggui (Journal article; Peer reviewed, 2018)
      Iron-catalyzed conversion of coal/biomass-derived syngas directly to lower olefins through Fischer–Tropsch synthesis (i.e., FTO) is a sustainable and short-flow process. Herein, effects of Mn and K promoter loadings on FTO ...