Nitrogen-monovacancy (VN) Hexagonal Boron Nitride 2D Monolayer Material as an Efficient Electrocatalyst for CO2 Reduction Reaction

Lokesh Yadav; Srimanta Pakhira

doi:10.48550/arxiv.2404.09340

Paper

Atlas literature

Research paper

Computational DFT

Nitrogen-monovacancy (VN) Hexagonal Boron Nitride 2D Monolayer Material as an Efficient Electrocatalyst for CO₂ Reduction Reaction

Lokesh Yadav, Srimanta Pakhira

2025·10.48550/arxiv.2404.09340·arXiv:2404.09340

Samples

Each sample groups how it was prepared, characterized, and measured. Click a card to expand.

Pristine 2D hBN monolayer modeled as a 3x3 supercell in the DFT-D study.

1 property

Simulated Supercell DfthBNStudied Material

Nitrogen-vacancy defective 2D hBN monolayer (VN_d-BN) modeled as a 3x3 supercell with one nitrogen vacancy.

3 properties

Simulated Supercell DfthBN with one N vacancy in 3x3 supercellStudied Material

Why these are connected

Related documents with shared materials, methods, properties, or citations.

Nitrogen-monovacancy (VN) Hexagonal Boron Nitride 2D Monolayer Material as an Efficient Electrocatalyst for CO2 Reduction Reaction | Matter42 Literature

Nitrogen-monovacancy (VN) Hexagonal Boron Nitride 2D Monolayer Material as an Efficient Electrocatalyst for CO₂ Reduction Reaction

Samples

Pristine 2D hBN monolayer modeled as a 3x3 supercell in the DFT-D study.

Nitrogen-vacancy defective 2D hBN monolayer (VNd-BN) modeled as a 3x3 supercell with one nitrogen vacancy.

Why these are connected

Nitrogen-monovacancy (VN) Hexagonal Boron Nitride 2D Monolayer Material as an Efficient Electrocatalyst for CO₂ Reduction Reaction

Samples

Pristine 2D hBN monolayer modeled as a 3x3 supercell in the DFT-D study.

Nitrogen-vacancy defective 2D hBN monolayer (VNd-BN) modeled as a 3x3 supercell with one nitrogen vacancy.

Why these are connected

Nitrogen-monovacancy (VN) Hexagonal Boron Nitride 2D Monolayer Material as an Efficient Electrocatalyst for CO₂ Reduction Reaction

Samples

Pristine 2D hBN monolayer modeled as a 3x3 supercell in the DFT-D study.

Nitrogen-vacancy defective 2D hBN monolayer (VNd-BN) modeled as a 3x3 supercell with one nitrogen vacancy.

Why these are connected

Nitrogen-monovacancy (VN) Hexagonal Boron Nitride 2D Monolayer Material as an Efficient Electrocatalyst for CO₂ Reduction Reaction

Samples

Pristine 2D hBN monolayer modeled as a 3x3 supercell in the DFT-D study.

Nitrogen-vacancy defective 2D hBN monolayer (VNd-BN) modeled as a 3x3 supercell with one nitrogen vacancy.

Why these are connected

Nitrogen-monovacancy (VN) Hexagonal Boron Nitride 2D Monolayer Material as an Efficient Electrocatalyst for CO₂ Reduction Reaction

Samples

Pristine 2D hBN monolayer modeled as a 3x3 supercell in the DFT-D study.

Nitrogen-vacancy defective 2D hBN monolayer (VNd-BN) modeled as a 3x3 supercell with one nitrogen vacancy.

Why these are connected

Nitrogen-monovacancy (VN) Hexagonal Boron Nitride 2D Monolayer Material as an Efficient Electrocatalyst for CO₂ Reduction Reaction

Samples

Pristine 2D hBN monolayer modeled as a 3x3 supercell in the DFT-D study.

Nitrogen-vacancy defective 2D hBN monolayer (VNd-BN) modeled as a 3x3 supercell with one nitrogen vacancy.

Why these are connected

Nitrogen-monovacancy (VN) Hexagonal Boron Nitride 2D Monolayer Material as an Efficient Electrocatalyst for CO₂ Reduction Reaction

Samples

Pristine 2D hBN monolayer modeled as a 3x3 supercell in the DFT-D study.

Nitrogen-vacancy defective 2D hBN monolayer (VNd-BN) modeled as a 3x3 supercell with one nitrogen vacancy.

Why these are connected

Nitrogen-monovacancy (VN) Hexagonal Boron Nitride 2D Monolayer Material as an Efficient Electrocatalyst for CO₂ Reduction Reaction

Samples

Pristine 2D hBN monolayer modeled as a 3x3 supercell in the DFT-D study.

Nitrogen-vacancy defective 2D hBN monolayer (VNd-BN) modeled as a 3x3 supercell with one nitrogen vacancy.

Why these are connected

Nitrogen-vacancy defective 2D hBN monolayer (VN_d-BN) modeled as a 3x3 supercell with one nitrogen vacancy.

Nitrogen-vacancy defective 2D hBN monolayer (VN_d-BN) modeled as a 3x3 supercell with one nitrogen vacancy.

Nitrogen-vacancy defective 2D hBN monolayer (VN_d-BN) modeled as a 3x3 supercell with one nitrogen vacancy.

Nitrogen-vacancy defective 2D hBN monolayer (VN_d-BN) modeled as a 3x3 supercell with one nitrogen vacancy.

Nitrogen-vacancy defective 2D hBN monolayer (VN_d-BN) modeled as a 3x3 supercell with one nitrogen vacancy.

Nitrogen-vacancy defective 2D hBN monolayer (VN_d-BN) modeled as a 3x3 supercell with one nitrogen vacancy.

Nitrogen-vacancy defective 2D hBN monolayer (VN_d-BN) modeled as a 3x3 supercell with one nitrogen vacancy.

Nitrogen-vacancy defective 2D hBN monolayer (VN_d-BN) modeled as a 3x3 supercell with one nitrogen vacancy.