Browsing NTNU Open by Author "Xiao, Ling"
Now showing items 1-4 of 4
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Improved selectivity and coke resistance of core-shell alloy catalysts for propane dehydrogenation from first principles and microkinetic analysis
Xiao, Ling; Ma, Fang; Zhu, Yi-An; Sui, Zhi-Jun; Zhou, Jing-Hong; Zhou, Xing-Gui; Chen, De; Yuan, Wei-Kang (Journal article; Peer reviewed, 2018)Microkinetic analysis combined with the results obtained from density functional theory calculations has been performed to examine the catalytic activity and selectivity of Pt-based core-shell alloy catalysts for propane ... -
Insight into Size- and Metal-Dependent Activity and the Mechanism for Steam Methane Re-forming in Nanocatalysis
Wang, Yalan; Xiao, Ling; Qi, Yanying; Yang, Jia; Zhu, Yi-An; Chen, De (Peer reviewed; Journal article, 2020)Systematic and in-depth understanding of size- and metal-dependent activity plays a pivotal role in nanocatalysis for rational design of highly efficient catalysts. Herein, we report an approach combining microkinetic ... -
Towards rational catalyst design: boosting the rapid prediction of transition-metal activity by improved scaling relations
Wang, Yalan; Xiao, Ling; Qi, Yanying; Mahmoodinia, Mehdi; Feng, Xiang; Yang, Jia; Zhu, Yi-An; Chen, De (Peer reviewed; Journal article, 2019)Understanding the scaling relations of adsorption energies and activation energies greatly facilitates the computational catalyst design. To reduce the computational cost and guarantee efficiency, improved scaling relations ... -
Understanding effects of Ni particle size on steam methane reforming activity by combined experimental and theoretical analysis
Wang, Yalan; Wang, Hongmin; Dam, Anh Hoang; Xiao, Ling; Qi, Yanying; Niu, Juntian; Yang, Jia; Zhu, Yi-An; Holmen, Anders; Chen, De (Journal article, 2019)Fundamental understanding of the size-dependent activity is essential to harness powers of the nanocatalysts. Here we report an experimental and theoretical study of the Ni particle size effect on activity of steam methane ...