Adsorption Behaviors of Small Molecules on Two-Dimensional Penta-NiN2 Layers: Implications for NO and NO2 Gas Sensors
Source abstract
Abstract
Penta-NiN 2 is a two-dimensional layered material with pentagonal atomic arrangement and has recently been manufactured in experiments ( ACS Nano 2021, 15, 8, 13539). We study systematically the adsorption of CO, CO 2, NO, NO 2, NH 3, and CH 4 on penta-NiN 2 nanosheet and its effects on electronic properties employing the first-principles method combined with the nonequilibrium Green’s function. Excellent sensing performance of penta-NiN 2 is predicted for the NO x ( x = 1, 2) molecules based on energetic, geometric, and electric analyses. The adsorption of NO and NO 2 gas molecules may convert penta-NiN 2 from a nonmagnetic semiconductor to magnetic metal. A current enhancement around 800% can be observed in penta-NiN 2 connected to a circuit after its adsorption of NO. The unique selectivity and sensitivity to adsorption suggest that penta-NiN 2 may become a widely used gas sensor for NO and NO 2 .
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Gas Sensing Nanomaterials and Sensors · MXene and MAX Phase Materials · 2D Materials and Applications
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Institute of Theoretical and Applied Physics, School of Physical Science and Technology, Soochow University, 1 Shizi Street, Suzhou 215006, China
Funding
National Natural Science Foundation of China
References (65)
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