Research paperComputational MDComputed PhononTheoreticalPhonon Thermal Transport between Two in-Plane, Two-Dimensional Nanoribbons in the Extreme Near-Field RegimeMd Jahid Hasan Sagor, Sheila Edalatpour2024·10.1103/physrevb.109.235411·arXiv:2409.11345AbstractThe phonon thermal conductance of sub-nanometric vacuum gaps between two in-plane nanoribbons of two-dimensional materials (graphene and silicene) is analyzed using the atomistic Green’s function method and by employing the Tersoff and Lennard-Jones potentials for describing the interatomic interactions. It is found that the phonon conductance decays exponentially with the size of the gap, with distinct exponential regimes depending on the balance of repulsive and attractive Lennard-Jones interactions. The contribution from optical phonons is non-negligible only for very small gaps in graphene, and the conductance varies only modestly with nanoribbon width.Read more
Two in-plane semi-infinite graphene nanoribbons separated by a vacuum gap for AGF phonon-transport simulation.5 propertiesSimulatedCStudied MaterialExpand
Two in-plane semi-infinite silicene nanoribbons separated by a vacuum gap for AGF phonon-transport simulation.4 propertiesSimulatedSiStudied MaterialExpand
One-dimensional silicon atomic chain used as a benchmark system for AGF validation.No measurements recordedSimulatedSiReference MaterialExpand
Research paperComputational MDComputed PhononTheoreticalPhonon Thermal Transport between Two in-Plane, Two-Dimensional Nanoribbons in the Extreme Near-Field RegimeMd Jahid Hasan Sagor, Sheila Edalatpour2024·10.1103/physrevb.109.235411·arXiv:2409.11345AbstractThe phonon thermal conductance of sub-nanometric vacuum gaps between two in-plane nanoribbons of two-dimensional materials (graphene and silicene) is analyzed using the atomistic Green’s function method and by employing the Tersoff and Lennard-Jones potentials for describing the interatomic interactions. It is found that the phonon conductance decays exponentially with the size of the gap, with distinct exponential regimes depending on the balance of repulsive and attractive Lennard-Jones interactions. The contribution from optical phonons is non-negligible only for very small gaps in graphene, and the conductance varies only modestly with nanoribbon width.Read more
Two in-plane semi-infinite graphene nanoribbons separated by a vacuum gap for AGF phonon-transport simulation.5 propertiesSimulatedCStudied MaterialExpand
Two in-plane semi-infinite silicene nanoribbons separated by a vacuum gap for AGF phonon-transport simulation.4 propertiesSimulatedSiStudied MaterialExpand
One-dimensional silicon atomic chain used as a benchmark system for AGF validation.No measurements recordedSimulatedSiReference MaterialExpand
Research paperComputational MDComputed PhononTheoreticalPhonon Thermal Transport between Two in-Plane, Two-Dimensional Nanoribbons in the Extreme Near-Field RegimeMd Jahid Hasan Sagor, Sheila Edalatpour2024·10.1103/physrevb.109.235411·arXiv:2409.11345AbstractThe phonon thermal conductance of sub-nanometric vacuum gaps between two in-plane nanoribbons of two-dimensional materials (graphene and silicene) is analyzed using the atomistic Green’s function method and by employing the Tersoff and Lennard-Jones potentials for describing the interatomic interactions. It is found that the phonon conductance decays exponentially with the size of the gap, with distinct exponential regimes depending on the balance of repulsive and attractive Lennard-Jones interactions. The contribution from optical phonons is non-negligible only for very small gaps in graphene, and the conductance varies only modestly with nanoribbon width.Read more
Two in-plane semi-infinite graphene nanoribbons separated by a vacuum gap for AGF phonon-transport simulation.5 propertiesSimulatedCStudied MaterialExpand
Two in-plane semi-infinite silicene nanoribbons separated by a vacuum gap for AGF phonon-transport simulation.4 propertiesSimulatedSiStudied MaterialExpand
One-dimensional silicon atomic chain used as a benchmark system for AGF validation.No measurements recordedSimulatedSiReference MaterialExpand
Research paperComputational MDComputed PhononTheoreticalPhonon Thermal Transport between Two in-Plane, Two-Dimensional Nanoribbons in the Extreme Near-Field RegimeMd Jahid Hasan Sagor, Sheila Edalatpour2024·10.1103/physrevb.109.235411·arXiv:2409.11345AbstractThe phonon thermal conductance of sub-nanometric vacuum gaps between two in-plane nanoribbons of two-dimensional materials (graphene and silicene) is analyzed using the atomistic Green’s function method and by employing the Tersoff and Lennard-Jones potentials for describing the interatomic interactions. It is found that the phonon conductance decays exponentially with the size of the gap, with distinct exponential regimes depending on the balance of repulsive and attractive Lennard-Jones interactions. The contribution from optical phonons is non-negligible only for very small gaps in graphene, and the conductance varies only modestly with nanoribbon width.Read more
Two in-plane semi-infinite graphene nanoribbons separated by a vacuum gap for AGF phonon-transport simulation.5 propertiesSimulatedCStudied MaterialExpand
Two in-plane semi-infinite silicene nanoribbons separated by a vacuum gap for AGF phonon-transport simulation.4 propertiesSimulatedSiStudied MaterialExpand
One-dimensional silicon atomic chain used as a benchmark system for AGF validation.No measurements recordedSimulatedSiReference MaterialExpand