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Publications by Li-Yuan Huai
Mechanism of Ammonia Decomposition and Oxidation on Ir(110): A First-Principles Study
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
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O2-Coverage-Dependent CO Oxidation on Reduced TiO2(110): A First Principles Study
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Decomposition Mechanism of Anisole on Pt(111): Combining Single-Crystal Experiments and First-Principles Calculations
First Principles Study on the CO Oxidation on Mn-Embedded Divacancy Graphene
Frontiers in Chemistry
Chemistry
Design Principles of Multifunctional Microreactors for Hydrogen Production via Ammonia Decomposition
European Journal of Technology and Design
Stability and Electronic Features of Calcium Hexa Hepta, and Octa-Coordinated Ammonia Complexes: A First-Principles Study
Phase Transitions in Epitaxial (−110)BiFeO3Films From First Principles
Physical Review Letters
Astronomy
Physics
Mixing and Decomposition Thermodynamics Ofc−Ti1−xAlxNfrom First-Principles Calculations
Physical Review B
Detwinning Mechanism for Nanotwinned Cubic Boron Nitride With Unprecedented Strength: A First-Principles Study
Nanomaterials
Materials Science
Chemical Engineering
First-Principles Study of the Effect of Nitrogen Vacancies on the Decomposition Pattern in Cubic Ti1−xAlxN1−y
Applied Physics Letters
Astronomy
Physics
