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Quantitative Studies of the Key Aspects in Selective Acetylene Hydrogenation on Pd(111) by Microkinetic Modeling with Coverage Effects and Molecular Dynamics
4个月前
已完结
DFT and microkinetic study of acetylene transformation on Pd(111), M(111) and PdM(111) surfaces (M = Cu, Ag, Au)
4个月前
已完结
Acetylene Semi-Hydrogenation on Intermetallic Ni-In Catalysts: Ni Ensemble and Acetylene Coverage Effects from a Theoretical Analysis
4个月前
已完结
Achieving Theory-Experiment Parity for Activity and Selectivity in Heterogeneous Catalysis Using Microkinetic Modeling
4个月前
已完结
CATKINAS: A large-scale catalytic microkinetic analysis software for mechanism auto-analysis and catalyst screening
4个月前
已完结
Selective hydrogenation of acetylene on Cu–Pd intermetallic compounds and Pd atoms substituted Cu(111) surfaces
4个月前
已完结
Theoretical Investigation of Janus ReSSe Monolayers Doped with Cu n Metal Clusters (n=1-3) for Detecting Gases from Thermal Runaway Decomposition in Lithium-Ion Batteries
4个月前
已完结
Growth Kinetics of Graphene on Cu(111) Foils from Methane, Ethyne, Ethylene, and Ethane
5个月前
已完结
Atomic and Molecular Adsorption on Cu(111)
5个月前
已完结
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