Research paper
Computational DFTNitrogen-monovacancy (VN) Hexagonal Boron Nitride 2D Monolayer Material as an Efficient Electrocatalyst for CO₂ Reduction Reaction
Lokesh Yadav, Srimanta Pakhira
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| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Band Gap | electronic band gap | 6.23eV | — | |||
| Band Gap | electronic band gap | 3eV | — | |||
| Free Energy Change | COOH* formation free energy | -0.5eV | — | |||
| Free Energy Change | OCHO* formation free energy | -1.44eV | — | |||
| Xrd Lattice Constant A | lattice constant a | 7.285Å | — | — | — | — |
| Ir Band Position | IR band | 877.77cm⁻¹ | — | — | — | — |
| Ir Band Position | IR band | 1422.21cm⁻¹ | — | — | — | — |
| Ir Band Position | IR band | 1338.39cm⁻¹ | — | — | — | — |
| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Band Gap | electronic band gap | 6.23eV | — | |||
| Band Gap | electronic band gap | 3eV | — | |||
| Free Energy Change | COOH* formation free energy | -0.5eV | — | |||
| Free Energy Change | OCHO* formation free energy | -1.44eV | — | |||
| Xrd Lattice Constant A | lattice constant a | 7.285Å | — | — | — | — |
| Ir Band Position | IR band | 877.77cm⁻¹ | — | — | — | — |
| Ir Band Position | IR band | 1422.21cm⁻¹ | — | — | — | — |
| Ir Band Position | IR band | 1338.39cm⁻¹ | — | — | — | — |
| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Band Gap | electronic band gap | 6.23eV | — | |||
| Band Gap | electronic band gap | 3eV | — | |||
| Free Energy Change | COOH* formation free energy | -0.5eV | — | |||
| Free Energy Change | OCHO* formation free energy | -1.44eV | — | |||
| Xrd Lattice Constant A | lattice constant a | 7.285Å | — | — | — | — |
| Ir Band Position | IR band | 877.77cm⁻¹ | — | — | — | — |
| Ir Band Position | IR band | 1422.21cm⁻¹ | — | — | — | — |
| Ir Band Position | IR band | 1338.39cm⁻¹ | — | — | — | — |
| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Band Gap | electronic band gap | 6.23eV | — | |||
| Band Gap | electronic band gap | 3eV | — | |||
| Free Energy Change | COOH* formation free energy | -0.5eV | — | |||
| Free Energy Change | OCHO* formation free energy | -1.44eV | — | |||
| Xrd Lattice Constant A | lattice constant a | 7.285Å | — | — | — | — |
| Ir Band Position | IR band | 877.77cm⁻¹ | — | — | — | — |
| Ir Band Position | IR band | 1422.21cm⁻¹ | — | — | — | — |
| Ir Band Position | IR band | 1338.39cm⁻¹ | — | — | — | — |