Abstract

The paper studies Stone-Wales defect formation in graphene supported by Cu(111) and Al(111) using first-principles density functional theory. It compares pristine and defected graphene on metal-supported and metal-sandwiched interfaces, finding reduced activation barriers and increased defect stability on metal substrates. The authors report energy profiles, defect formation/restoration energies, bond-length changes, and interface distances.

Abstract

The paper studies Stone-Wales defect formation in graphene supported by Cu(111) and Al(111) using first-principles density functional theory. It compares pristine and defected graphene on metal-supported and metal-sandwiched interfaces, finding reduced activation barriers and increased defect stability on metal substrates. The authors report energy profiles, defect formation/restoration energies, bond-length changes, and interface distances.

Abstract

The paper studies Stone-Wales defect formation in graphene supported by Cu(111) and Al(111) using first-principles density functional theory. It compares pristine and defected graphene on metal-supported and metal-sandwiched interfaces, finding reduced activation barriers and increased defect stability on metal substrates. The authors report energy profiles, defect formation/restoration energies, bond-length changes, and interface distances.

Abstract

The paper studies Stone-Wales defect formation in graphene supported by Cu(111) and Al(111) using first-principles density functional theory. It compares pristine and defected graphene on metal-supported and metal-sandwiched interfaces, finding reduced activation barriers and increased defect stability on metal substrates. The authors report energy profiles, defect formation/restoration energies, bond-length changes, and interface distances.