DFT Insights into the Detection of NH3, AsH3, PH3, CO2, and CH4 Gases with Pristine and Monovacancy Phosphorene Sheets
Abstract
Density functional theory (DFT) calculations were employed to investigate the adsorption behavior of NH3, AsH3, PH3, CO2, and CH4 molecules on both pristine and mono-vacancy phosphorene sheets. The pristine phosphorene surfac... | Find, read and cite all the research you need on Tech Science Press
Fields of Study & Subjects
Gas Sensing Nanomaterials and Sensors
2D Materials and Applications
Graphene research and applications
Publication details
- Journal / source
- Computers, materials & continua/Computers, materials & continua (Print)
- Volume
- 87
- Issue
- 1
- Pages
- 1–10
- Publication date
- 1 January 2026
- Language
- EN