Browsing NTNU Open by Author "Sui, Zhi Jun"
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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 ... -
Insights into hydrogen transport behavior on perovskite surfaces: Transition from the Grotthuss mechanism to the “vehicle” mechanism
Li, Qian; Yin, Qiang; Zheng, Ya-Shan; Sui, Zhi Jun; Zhou, Xinggui; Chen, De; Zhu, Yi-an (Journal article; Peer reviewed, 2019)Hydrogen transport on transition-metal oxides is a shared process in many important physical and chemical changes of interest. In this work, DFT + U calculations have been carried out to explore the mechanism for hydrogen ... -
Structural stability of Lanthanum-based oxygen-deficient perovskites in redox catalysis: A density functional theory study
Li, Qian; Deng, Yun-Xiang; Zhu, Yi-An; Li, Yang; Sui, Zhi Jun; Chen, De; Yuan, Wei-Kang (Journal article; Peer reviewed, 2018)Periodic density functional theory calculations have been performed to examine the effect of oxygen deficiency on the structural stability of Lanthanum-based perovskites (LaMO3), where on-site Coulomb interactions have ...