30 results on '"Li, Wei Xue"'
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2. First-Principles Study of Oxygen-Induced Disintegration and Ripening of Late Transition Metal Nanoparticles on Rutile-TiO2(110)
3. K-Edge XANES Investigation of Fe-Based Oxides by Density Functional Theory Calculations
4. Bimetallic Cu/Rh Catalyst for Preferential Oxidation of CO in H2: a DFT Study
5. Morphology Evolution of FCC and HCP Cobalt Induced by a CO Atmosphere from Ab Initio Thermodynamics
6. Compensation between Surface Energy and hcp/fcc Phase Energy of Late Transition Metals from First-Principles Calculations
7. Single Ru Sites-Embedded Rutile TiO2 Catalyst for Non-Oxidative Direct Conversion of Methane: A First-Principles Study
8. Influence of Cobalt Crystal Structures on Activation of Nitrogen Molecule: A First-Principles Study
9. Influence of Crystal Facet and Phase of Titanium Dioxide on Ostwald Ripening of Supported Pt Nanoparticles from First-Principles Kinetics
10. First-Principles Kinetic Study for Ostwald Ripening of Late Transition Metals on TiO2(110)
11. Understanding Surface Catalyzed Decomposition Reactions Using a Chemical Pathway Analysis
12. First-Principles and Microkinetic Simulation Studies of the Structure Sensitivity of Cu Catalyst for Methanol Steam Reforming
13. Differentiating Intrinsic Reactivity of Copper, Copper–Zinc Alloy, and Copper/Zinc Oxide Interface for Methanol Steam Reforming by First-Principles Theory
14. CO Dissociation on Face-Centered Cubic and Hexagonal Close-Packed Nickel Catalysts: A First-Principles Study
15. Robust Phase Control through Hetero-Seeded Epitaxial Growth for Face-Centered Cubic Pt@Ru Nanotetrahedrons with Superior Hydrogen Electro-Oxidation Activity
16. Direct Imaging Single Methanol Molecule Photocatalysis on Titania
17. Following Molecules through Reactive Networks: Surface Catalyzed Decomposition of Methanol on Pd(111), Pt(111), and Ni(111)
18. Single Pd Atom Embedded in CeO2(111) for NO Reduction with CO: A First-Principles Study
19. CO- and NO-Induced Disintegration and Redispersion of Three-Way Catalysts Rhodium, Palladium, and Platinum: An ab Initio Thermodynamics Study
20. Growth of Single- and Bilayer ZnO on Au(111) and Interaction with Copper
21. In- and Out-Dependent Interactions of Iron with Carbon Nanotubes
22. Theoretical Study of the Role of a Metal–Cation Ensemble at the Oxide–Metal Boundary on CO Oxidation
23. Rh-Decorated Cu Alloy Catalyst for Improved C2 Oxygenate Formation from Syngas
24. First-Principles Study on the Origin of the Different Selectivities for Methanol Steam Reforming on Cu(111) and Pd(111)
25. First-Principles Investigation of Surface and Subsurface H Adsorption on Ir(111)
26. First-Principles Study of Carbon Monoxide Oxidation on Ag(111) in Presence of Subsurface Oxygen and Stepped Ag(221)
27. The Effect of Water on the CO Oxidation on Ag(111) and Au(111) Surfaces: A First-Principle Study
28. Framework Fe Ions in Fe-ZSM-5 Zeolite Studied by UV Resonance Raman Spectroscopy and Density Functional Theory Calculations
29. Direct Spectroscopic Observation of Fe(III)−Phenolate Complex Formed From the Reaction of Benzene With Peroxide Species on Fe/ZSM-5 At Room Temperature
30. First Principle Study of Ethanol Adsorption and Formation of Hydrogen Bond on Rh(111) Surface
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