Research paperComputational DFTTheoreticalComputed Band StructureGap engineering and wave function symmetry in C and BN armchair nanoribbonsElisa Serrano Richaud, Sylvain Latil, Hakim Amara, Lorenzo SponzaarXiv·2024·10.1103/physrevb.109.235425·arXiv:2302.14432AbstractWe investigate separately the effects of stress, electric field and edge functionalization on armchair graphene and boron nitride nanoribbons using density functional theory and a tight-binding ladder model. The two materials respond in opposite ways to these stimuli, which is linked to the symmetry of the valence and conduction wave functions.Read more
Hydrogen-passivated fully relaxed AGNR-5 used as a representative DFT system.1 characterization3 properties3 figuresSimulated Supercell DftCStudied MaterialHPrecursorExpand
Hydrogen-passivated fully relaxed AGNR-8 used as a representative DFT system.1 characterization3 figuresSimulated Supercell DftCStudied MaterialHPrecursorExpand
Hydrogen-passivated fully relaxed AGNR-11 used as a representative DFT system.1 characterization3 figuresSimulated Supercell DftCStudied MaterialHPrecursorExpand
Hydrogen-passivated fully relaxed ABNNR-5 used as a representative DFT system.1 characterization4 properties3 figuresSimulated Supercell DftBNStudied MaterialHPrecursorExpand
Hydrogen-passivated fully relaxed ABNNR-8 used as a representative DFT system.1 characterization3 figuresSimulated Supercell DftBNStudied MaterialHPrecursorExpand
Hydrogen-passivated fully relaxed ABNNR-11 used as a representative DFT system.1 characterization3 figuresSimulated Supercell DftBNStudied MaterialHPrecursorExpand
Research paperComputational DFTTheoreticalComputed Band StructureGap engineering and wave function symmetry in C and BN armchair nanoribbonsElisa Serrano Richaud, Sylvain Latil, Hakim Amara, Lorenzo SponzaarXiv·2024·10.1103/physrevb.109.235425·arXiv:2302.14432AbstractWe investigate separately the effects of stress, electric field and edge functionalization on armchair graphene and boron nitride nanoribbons using density functional theory and a tight-binding ladder model. The two materials respond in opposite ways to these stimuli, which is linked to the symmetry of the valence and conduction wave functions.Read more
Hydrogen-passivated fully relaxed AGNR-5 used as a representative DFT system.1 characterization3 properties3 figuresSimulated Supercell DftCStudied MaterialHPrecursorExpand
Hydrogen-passivated fully relaxed AGNR-8 used as a representative DFT system.1 characterization3 figuresSimulated Supercell DftCStudied MaterialHPrecursorExpand
Hydrogen-passivated fully relaxed AGNR-11 used as a representative DFT system.1 characterization3 figuresSimulated Supercell DftCStudied MaterialHPrecursorExpand
Hydrogen-passivated fully relaxed ABNNR-5 used as a representative DFT system.1 characterization4 properties3 figuresSimulated Supercell DftBNStudied MaterialHPrecursorExpand
Hydrogen-passivated fully relaxed ABNNR-8 used as a representative DFT system.1 characterization3 figuresSimulated Supercell DftBNStudied MaterialHPrecursorExpand
Hydrogen-passivated fully relaxed ABNNR-11 used as a representative DFT system.1 characterization3 figuresSimulated Supercell DftBNStudied MaterialHPrecursorExpand
Research paperComputational DFTTheoreticalComputed Band StructureGap engineering and wave function symmetry in C and BN armchair nanoribbonsElisa Serrano Richaud, Sylvain Latil, Hakim Amara, Lorenzo SponzaarXiv·2024·10.1103/physrevb.109.235425·arXiv:2302.14432AbstractWe investigate separately the effects of stress, electric field and edge functionalization on armchair graphene and boron nitride nanoribbons using density functional theory and a tight-binding ladder model. The two materials respond in opposite ways to these stimuli, which is linked to the symmetry of the valence and conduction wave functions.Read more
Hydrogen-passivated fully relaxed AGNR-5 used as a representative DFT system.1 characterization3 properties3 figuresSimulated Supercell DftCStudied MaterialHPrecursorExpand
Hydrogen-passivated fully relaxed AGNR-8 used as a representative DFT system.1 characterization3 figuresSimulated Supercell DftCStudied MaterialHPrecursorExpand
Hydrogen-passivated fully relaxed AGNR-11 used as a representative DFT system.1 characterization3 figuresSimulated Supercell DftCStudied MaterialHPrecursorExpand
Hydrogen-passivated fully relaxed ABNNR-5 used as a representative DFT system.1 characterization4 properties3 figuresSimulated Supercell DftBNStudied MaterialHPrecursorExpand
Hydrogen-passivated fully relaxed ABNNR-8 used as a representative DFT system.1 characterization3 figuresSimulated Supercell DftBNStudied MaterialHPrecursorExpand
Hydrogen-passivated fully relaxed ABNNR-11 used as a representative DFT system.1 characterization3 figuresSimulated Supercell DftBNStudied MaterialHPrecursorExpand
Research paperComputational DFTTheoreticalComputed Band StructureGap engineering and wave function symmetry in C and BN armchair nanoribbonsElisa Serrano Richaud, Sylvain Latil, Hakim Amara, Lorenzo SponzaarXiv·2024·10.1103/physrevb.109.235425·arXiv:2302.14432AbstractWe investigate separately the effects of stress, electric field and edge functionalization on armchair graphene and boron nitride nanoribbons using density functional theory and a tight-binding ladder model. The two materials respond in opposite ways to these stimuli, which is linked to the symmetry of the valence and conduction wave functions.Read more
Hydrogen-passivated fully relaxed AGNR-5 used as a representative DFT system.1 characterization3 properties3 figuresSimulated Supercell DftCStudied MaterialHPrecursorExpand
Hydrogen-passivated fully relaxed AGNR-8 used as a representative DFT system.1 characterization3 figuresSimulated Supercell DftCStudied MaterialHPrecursorExpand
Hydrogen-passivated fully relaxed AGNR-11 used as a representative DFT system.1 characterization3 figuresSimulated Supercell DftCStudied MaterialHPrecursorExpand
Hydrogen-passivated fully relaxed ABNNR-5 used as a representative DFT system.1 characterization4 properties3 figuresSimulated Supercell DftBNStudied MaterialHPrecursorExpand
Hydrogen-passivated fully relaxed ABNNR-8 used as a representative DFT system.1 characterization3 figuresSimulated Supercell DftBNStudied MaterialHPrecursorExpand
Hydrogen-passivated fully relaxed ABNNR-11 used as a representative DFT system.1 characterization3 figuresSimulated Supercell DftBNStudied MaterialHPrecursorExpand