Research paper
TheoreticalComputed PhononEach sample groups how it was prepared, characterized, and measured. Click a card to expand.
4 properties
4 properties
8 properties
6 properties
| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Optical Band Gap | 7-AGNR (vacuum boundary) | 1eV | — | |||
| Optical Band Gap | 9-AGNR (vacuum boundary) | 0.9eV | — | |||
| Optical Band Gap | 4-BNNR/7-AGNR/4-BNNR | 1.22eV | — | |||
| Optical Band Gap | 4-BNNR/9-AGNR/4-BNNR | 1.19eV | — | |||
| Optical Band Gap | 4-BNNR/7-AGNR/4-NBNR | 0.394eV | — | |||
| Optical Band Gap | 4-BNNR/9-AGNR/4-NBNR | 0.454eV | — | |||
| Hopping Parameter | tppπ / nearest-neighbor hopping | 2.7eV | — | |||
| Onsite Energy | ΔB | 2.7eV | — | |||
| Onsite Energy | ΔN | -2.7eV | — | |||
| Onsite Energy | ΔC | 0eV | — |
Each sample groups how it was prepared, characterized, and measured. Click a card to expand.
4 properties
4 properties
8 properties
6 properties
| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Optical Band Gap | 7-AGNR (vacuum boundary) | 1eV | — | |||
| Optical Band Gap | 9-AGNR (vacuum boundary) | 0.9eV | — | |||
| Optical Band Gap | 4-BNNR/7-AGNR/4-BNNR | 1.22eV | — | |||
| Optical Band Gap | 4-BNNR/9-AGNR/4-BNNR | 1.19eV | — | |||
| Optical Band Gap | 4-BNNR/7-AGNR/4-NBNR | 0.394eV | — | |||
| Optical Band Gap | 4-BNNR/9-AGNR/4-NBNR | 0.454eV | — | |||
| Hopping Parameter | tppπ / nearest-neighbor hopping | 2.7eV | — | |||
| Onsite Energy | ΔB | 2.7eV | — | |||
| Onsite Energy | ΔN | -2.7eV | — | |||
| Onsite Energy | ΔC | 0eV | — |
Each sample groups how it was prepared, characterized, and measured. Click a card to expand.
4 properties
4 properties
8 properties
6 properties
| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Optical Band Gap | 7-AGNR (vacuum boundary) | 1eV | — | |||
| Optical Band Gap | 9-AGNR (vacuum boundary) | 0.9eV | — | |||
| Optical Band Gap | 4-BNNR/7-AGNR/4-BNNR | 1.22eV | — | |||
| Optical Band Gap | 4-BNNR/9-AGNR/4-BNNR | 1.19eV | — | |||
| Optical Band Gap | 4-BNNR/7-AGNR/4-NBNR | 0.394eV | — | |||
| Optical Band Gap | 4-BNNR/9-AGNR/4-NBNR | 0.454eV | — | |||
| Hopping Parameter | tppπ / nearest-neighbor hopping | 2.7eV | — | |||
| Onsite Energy | ΔB | 2.7eV | — | |||
| Onsite Energy | ΔN | -2.7eV | — | |||
| Onsite Energy | ΔC | 0eV | — |
Each sample groups how it was prepared, characterized, and measured. Click a card to expand.
4 properties
4 properties
8 properties
6 properties
| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Optical Band Gap | 7-AGNR (vacuum boundary) | 1eV | — | |||
| Optical Band Gap | 9-AGNR (vacuum boundary) | 0.9eV | — | |||
| Optical Band Gap | 4-BNNR/7-AGNR/4-BNNR | 1.22eV | — | |||
| Optical Band Gap | 4-BNNR/9-AGNR/4-BNNR | 1.19eV | — | |||
| Optical Band Gap | 4-BNNR/7-AGNR/4-NBNR | 0.394eV | — | |||
| Optical Band Gap | 4-BNNR/9-AGNR/4-NBNR | 0.454eV | — | |||
| Hopping Parameter | tppπ / nearest-neighbor hopping | 2.7eV | — | |||
| Onsite Energy | ΔB | 2.7eV | — | |||
| Onsite Energy | ΔN | -2.7eV | — | |||
| Onsite Energy | ΔC | 0eV | — |