Research paper
TheoreticalComputational DFT| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Adsorption Energy | NO₂ adsorption energy | -0.27eV | — | |||
| Adsorption Energy | NO₂ adsorption energy | -0.3eV | — | |||
| Adsorption Energy | NO₂ adsorption energy | -0.66eV | — | |||
| Charge Transfer | Mulliken charge transfer | -0.55e | — | |||
| Charge Transfer | Hirshfeld charge transfer | -0.43e | — | |||
| Recovery Time | NO₂ recovery time | 3.68e-8s | — | |||
| Recovery Time | NO₂ recovery time | 1.19e-7s | — | |||
| Recovery Time | NO₂ recovery time | 0.15s | — | |||
| Optical Band Gap | band gap | 1.08eV | — | — | — |
| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Adsorption Energy | NO₂ adsorption energy | -0.27eV | — | |||
| Adsorption Energy | NO₂ adsorption energy | -0.3eV | — | |||
| Adsorption Energy | NO₂ adsorption energy | -0.66eV | — | |||
| Charge Transfer | Mulliken charge transfer | -0.55e | — | |||
| Charge Transfer | Hirshfeld charge transfer | -0.43e | — | |||
| Recovery Time | NO₂ recovery time | 3.68e-8s | — | |||
| Recovery Time | NO₂ recovery time | 1.19e-7s | — | |||
| Recovery Time | NO₂ recovery time | 0.15s | — | |||
| Optical Band Gap | band gap | 1.08eV | — | — | — |
| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Adsorption Energy | NO₂ adsorption energy | -0.27eV | — | |||
| Adsorption Energy | NO₂ adsorption energy | -0.3eV | — | |||
| Adsorption Energy | NO₂ adsorption energy | -0.66eV | — | |||
| Charge Transfer | Mulliken charge transfer | -0.55e | — | |||
| Charge Transfer | Hirshfeld charge transfer | -0.43e | — | |||
| Recovery Time | NO₂ recovery time | 3.68e-8s | — | |||
| Recovery Time | NO₂ recovery time | 1.19e-7s | — | |||
| Recovery Time | NO₂ recovery time | 0.15s | — | |||
| Optical Band Gap | band gap | 1.08eV | — | — | — |
| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Adsorption Energy | NO₂ adsorption energy | -0.27eV | — | |||
| Adsorption Energy | NO₂ adsorption energy | -0.3eV | — | |||
| Adsorption Energy | NO₂ adsorption energy | -0.66eV | — | |||
| Charge Transfer | Mulliken charge transfer | -0.55e | — | |||
| Charge Transfer | Hirshfeld charge transfer | -0.43e | — | |||
| Recovery Time | NO₂ recovery time | 3.68e-8s | — | |||
| Recovery Time | NO₂ recovery time | 1.19e-7s | — | |||
| Recovery Time | NO₂ recovery time | 0.15s | — | |||
| Optical Band Gap | band gap | 1.08eV | — | — | — |