Research paperComputational DFTTheoreticalQuantum Transport in Nitrogen-Doped Nanoporous GraphenesGaetano Calogero, Isaac Alcón, Alan E. Anaya Morales, Nick Papior et al.Small·2025·10.1002/smll.202508850·arXiv:2507.04892AbstractVia density functional theory combined with Green’s function quantum transport simulations, this work studies nitrogen-doped hybrid nanoporous graphene (hNPG) and derivative designs. The paper shows that band staggering alone does not confine injected currents to a single graphene nanoribbon and develops an analytical coupled-mode model to explain charge spreading and to guide designs that achieve strong lateral confinement, including meta-configured phenyl-bridged hNPG architectures.Read more
DFT-optimized periodic hNPG structure used to parameterize the transport model.No measurements recordedSimulated Supercell DftC/N/HStudied MaterialExpand
Large-scale meta-hNPG device used for Green's-function transport simulations.No measurements recordedSimulatedC/N/HStudied MaterialExpand
Non-doped graphene nanoribbon subsystem used in the transport discussion and analytical model.No measurements recordedSimulatedCStudied MaterialExpand
Nitrogen-doped graphene nanoribbon subsystem used in the transport discussion and analytical model.No measurements recordedSimulatedC/NStudied MaterialExpand
Research paperComputational DFTTheoreticalQuantum Transport in Nitrogen-Doped Nanoporous GraphenesGaetano Calogero, Isaac Alcón, Alan E. Anaya Morales, Nick Papior et al.Small·2025·10.1002/smll.202508850·arXiv:2507.04892AbstractVia density functional theory combined with Green’s function quantum transport simulations, this work studies nitrogen-doped hybrid nanoporous graphene (hNPG) and derivative designs. The paper shows that band staggering alone does not confine injected currents to a single graphene nanoribbon and develops an analytical coupled-mode model to explain charge spreading and to guide designs that achieve strong lateral confinement, including meta-configured phenyl-bridged hNPG architectures.Read more
DFT-optimized periodic hNPG structure used to parameterize the transport model.No measurements recordedSimulated Supercell DftC/N/HStudied MaterialExpand
Large-scale meta-hNPG device used for Green's-function transport simulations.No measurements recordedSimulatedC/N/HStudied MaterialExpand
Non-doped graphene nanoribbon subsystem used in the transport discussion and analytical model.No measurements recordedSimulatedCStudied MaterialExpand
Nitrogen-doped graphene nanoribbon subsystem used in the transport discussion and analytical model.No measurements recordedSimulatedC/NStudied MaterialExpand
Research paperComputational DFTTheoreticalQuantum Transport in Nitrogen-Doped Nanoporous GraphenesGaetano Calogero, Isaac Alcón, Alan E. Anaya Morales, Nick Papior et al.Small·2025·10.1002/smll.202508850·arXiv:2507.04892AbstractVia density functional theory combined with Green’s function quantum transport simulations, this work studies nitrogen-doped hybrid nanoporous graphene (hNPG) and derivative designs. The paper shows that band staggering alone does not confine injected currents to a single graphene nanoribbon and develops an analytical coupled-mode model to explain charge spreading and to guide designs that achieve strong lateral confinement, including meta-configured phenyl-bridged hNPG architectures.Read more
DFT-optimized periodic hNPG structure used to parameterize the transport model.No measurements recordedSimulated Supercell DftC/N/HStudied MaterialExpand
Large-scale meta-hNPG device used for Green's-function transport simulations.No measurements recordedSimulatedC/N/HStudied MaterialExpand
Non-doped graphene nanoribbon subsystem used in the transport discussion and analytical model.No measurements recordedSimulatedCStudied MaterialExpand
Nitrogen-doped graphene nanoribbon subsystem used in the transport discussion and analytical model.No measurements recordedSimulatedC/NStudied MaterialExpand
Research paperComputational DFTTheoreticalQuantum Transport in Nitrogen-Doped Nanoporous GraphenesGaetano Calogero, Isaac Alcón, Alan E. Anaya Morales, Nick Papior et al.Small·2025·10.1002/smll.202508850·arXiv:2507.04892AbstractVia density functional theory combined with Green’s function quantum transport simulations, this work studies nitrogen-doped hybrid nanoporous graphene (hNPG) and derivative designs. The paper shows that band staggering alone does not confine injected currents to a single graphene nanoribbon and develops an analytical coupled-mode model to explain charge spreading and to guide designs that achieve strong lateral confinement, including meta-configured phenyl-bridged hNPG architectures.Read more
DFT-optimized periodic hNPG structure used to parameterize the transport model.No measurements recordedSimulated Supercell DftC/N/HStudied MaterialExpand
Large-scale meta-hNPG device used for Green's-function transport simulations.No measurements recordedSimulatedC/N/HStudied MaterialExpand
Non-doped graphene nanoribbon subsystem used in the transport discussion and analytical model.No measurements recordedSimulatedCStudied MaterialExpand
Nitrogen-doped graphene nanoribbon subsystem used in the transport discussion and analytical model.No measurements recordedSimulatedC/NStudied MaterialExpand
