Research paper
Computational DFTComputational Kinetic Model| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Electronic Level | donor level below vacuum | 5.1eV | — | |||
| Electronic Level | acceptor level below vacuum | 1.3eV | — | |||
| Out Of Plane Displacement | carbon atom displacement from hBN plane | 0.18angstrom | — | |||
| Relative Energy | distorted positive defect lower than planar configuration | 2meV | — | |||
| Lattice Constant A | in-plane lattice constant of Gr/hBN/Gr | 2.48angstrom | — | |||
| Out Of Plane Displacement | carbon atom displacement from hBN plane | 0.24nm | — | |||
| Out Of Plane Displacement | carbon atom displacement from hBN plane | 0.54nm | — | |||
| Relative Energy | free-spin charge-transfer state lower than fixed-spin state | 20meV | — | |||
| Relative Energy | free-spin charge-transfer state lower than fixed-spin state | 99meV | — | |||
| Relative Energy | free-spin charge-transfer state lower than fixed-spin state | 120meV | — | |||
| Out Of Plane Displacement | carbon atom displacement from hBN plane | 0.38angstrom | — | |||
| Relative Energy | planar configuration lower than distorted configuration | 50meV | — | |||
| Relative Energy | barrier to inversion of C atom displacement | 30meV | — | |||
| Relative Energy | barrier to inversion of C atom displacement | 280meV | — |
| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Electronic Level | donor level below vacuum | 5.1eV | — | |||
| Electronic Level | acceptor level below vacuum | 1.3eV | — | |||
| Out Of Plane Displacement | carbon atom displacement from hBN plane | 0.18angstrom | — | |||
| Relative Energy | distorted positive defect lower than planar configuration | 2meV | — | |||
| Lattice Constant A | in-plane lattice constant of Gr/hBN/Gr | 2.48angstrom | — | |||
| Out Of Plane Displacement | carbon atom displacement from hBN plane | 0.24nm | — | |||
| Out Of Plane Displacement | carbon atom displacement from hBN plane | 0.54nm | — | |||
| Relative Energy | free-spin charge-transfer state lower than fixed-spin state | 20meV | — | |||
| Relative Energy | free-spin charge-transfer state lower than fixed-spin state | 99meV | — | |||
| Relative Energy | free-spin charge-transfer state lower than fixed-spin state | 120meV | — | |||
| Out Of Plane Displacement | carbon atom displacement from hBN plane | 0.38angstrom | — | |||
| Relative Energy | planar configuration lower than distorted configuration | 50meV | — | |||
| Relative Energy | barrier to inversion of C atom displacement | 30meV | — | |||
| Relative Energy | barrier to inversion of C atom displacement | 280meV | — |
| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Electronic Level | donor level below vacuum | 5.1eV | — | |||
| Electronic Level | acceptor level below vacuum | 1.3eV | — | |||
| Out Of Plane Displacement | carbon atom displacement from hBN plane | 0.18angstrom | — | |||
| Relative Energy | distorted positive defect lower than planar configuration | 2meV | — | |||
| Lattice Constant A | in-plane lattice constant of Gr/hBN/Gr | 2.48angstrom | — | |||
| Out Of Plane Displacement | carbon atom displacement from hBN plane | 0.24nm | — | |||
| Out Of Plane Displacement | carbon atom displacement from hBN plane | 0.54nm | — | |||
| Relative Energy | free-spin charge-transfer state lower than fixed-spin state | 20meV | — | |||
| Relative Energy | free-spin charge-transfer state lower than fixed-spin state | 99meV | — | |||
| Relative Energy | free-spin charge-transfer state lower than fixed-spin state | 120meV | — | |||
| Out Of Plane Displacement | carbon atom displacement from hBN plane | 0.38angstrom | — | |||
| Relative Energy | planar configuration lower than distorted configuration | 50meV | — | |||
| Relative Energy | barrier to inversion of C atom displacement | 30meV | — | |||
| Relative Energy | barrier to inversion of C atom displacement | 280meV | — |
| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Electronic Level | donor level below vacuum | 5.1eV | — | |||
| Electronic Level | acceptor level below vacuum | 1.3eV | — | |||
| Out Of Plane Displacement | carbon atom displacement from hBN plane | 0.18angstrom | — | |||
| Relative Energy | distorted positive defect lower than planar configuration | 2meV | — | |||
| Lattice Constant A | in-plane lattice constant of Gr/hBN/Gr | 2.48angstrom | — | |||
| Out Of Plane Displacement | carbon atom displacement from hBN plane | 0.24nm | — | |||
| Out Of Plane Displacement | carbon atom displacement from hBN plane | 0.54nm | — | |||
| Relative Energy | free-spin charge-transfer state lower than fixed-spin state | 20meV | — | |||
| Relative Energy | free-spin charge-transfer state lower than fixed-spin state | 99meV | — | |||
| Relative Energy | free-spin charge-transfer state lower than fixed-spin state | 120meV | — | |||
| Out Of Plane Displacement | carbon atom displacement from hBN plane | 0.38angstrom | — | |||
| Relative Energy | planar configuration lower than distorted configuration | 50meV | — | |||
| Relative Energy | barrier to inversion of C atom displacement | 30meV | — | |||
| Relative Energy | barrier to inversion of C atom displacement | 280meV | — |