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Yuanshuai Liu
Researcher at Technische Universität München
Publications - 10
Citations - 713
Yuanshuai Liu is an academic researcher from Technische Universität München. The author has contributed to research in topics: Cyclohexanol & Catalysis. The author has an hindex of 8, co-authored 10 publications receiving 490 citations. Previous affiliations of Yuanshuai Liu include Chinese Academy of Sciences.
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Synergistic effects of Ni and acid sites for hydrogenation and C–O bond cleavage of substituted phenols
TL;DR: The cleavage of C-O bonds in phenol, catechol, and guaiacol has been explored with mono-and dual-functional catalysts containing Ni and/or HZSM-5 in the aqueous phase as discussed by the authors.
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Accurate Adsorption Thermodynamics of Small Alkanes in Zeolites. Ab initio Theory and Experiment for H-Chabazite
GiovanniMaria Piccini,Maristella Alessio,Joachim Sauer,Yuchun Zhi,Yuanshuai Liu,Robin Kolvenbach,Andreas Jentys,Johannes A. Lercher +7 more
TL;DR: In this paper, a hybrid high-level (MP2/CBS): low-level method is used to determine adsorption structures and energies, and vibrational entropies and thermal enthalpy contributions are obtained from vibrational partition functions for the DFT+dispersion potential energy surface.
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Enhancing the catalytic activity of hydronium ions through constrained environments.
Yuanshuai Liu,Aleksei Vjunov,Hui Shi,Sebastian Eckstein,Donald M. Camaioni,Donghai Mei,Eszter Baráth,Johannes A. Lercher,Johannes A. Lercher +8 more
TL;DR: It is demonstrated that hydronium ions confined in the nanopores of zeolite HBEA catalyse aqueous phase dehydration of cyclohexanol at a rate significantly higher than hydronsium ions in water.
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Anharmonicity and Confinement in Zeolites: Structure, Spectroscopy, and Adsorption Free Energy of Ethanol in H-ZSM-5
Konstantinos Alexopoulos,Mal Soon Lee,Yue Liu,Yuchun Zhi,Yuanshuai Liu,Marie-Françoise Reyniers,Guy Marin,Vassiliki Alexandra Glezakou,Roger Rousseau,Johannes A. Lercher,Johannes A. Lercher +10 more
TL;DR: In this article, the vibrational density of states (VDOS) of a single ethanol molecule in H-ZSM-5 was calculated from molecular dynamics simulations, infrared spectroscopy, and calorimetric measurements.
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Solvent-determined mechanistic pathways in zeolite-H-BEA-catalysed phenol alkylation
Yuanshuai Liu,Eszter Baráth,Hui Shi,Jianzhi Hu,Donald M. Camaioni,Johannes A. Lercher,Johannes A. Lercher +6 more
TL;DR: In this article, a mechanistic study reveals that the course of the reaction can be dramatically altered by changing the polarity of the solvent, which affects the nature of surface species and the pathway for the generation of the alkylating electrophile.