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  1. Defect stabilized gold atoms on graphene as potential catalysts for ethylene epoxidation: a first-principles investigation
  2. Pt atoms stabilized on hexagonal boron nitride as efficient single-atom catalysts for CO oxidation: a first-principles investigation
  3. CO oxidation catalyzed by Pt-embedded graphene: a first-principles investigation
  4. Copper atoms embedded in hexagonal boron nitride as potential catalysts for CO oxidation: a first-principles investigation
  5. Unique reactivity of Fe nanoparticles–defective graphene composites toward NHx (x = 0, 1, 2, 3) adsorption: a first-principles study
  6. Graphene substrate-mediated catalytic performance enhancement of Runanoparticles: a first-principles study