Phosphorene as a Superior Gas Sensor: Selective Adsorption and Distinct I-V Response.
By L. Kou, T. Frauenheim, Changfeng Chen. Journal of Physical Chemistry Letters, 2014
971 citations recorded by the source corpus.
Recent reports on the fabrication of phosphorene, that is, mono- or few-layer black phosphorus, have raised exciting prospects of an outstanding two-dimensional (2D) material that exhibits excellent properties for nanodevice applications. Here, we study by first-principles calculations the adsorption of CO, CO2, NH3, NO, and NO2 gas molecules on a monolayer phosphorene. Our results predict superior sensing performance of phosphorene that rivals or even surpasses that of other 2D materials such as graphene and MoS2. We determine the optimal adsorption positions of these molecules on the phosphorene and identify molecular doping, that is, charge transfer between the molecules and phosphorene, as the driving mechanism for the high adsorption strength. We further calculated the current-voltage (I-V) relation using the nonequilibrium Green's function (NEGF) formalism. The transport features show large (1-2 orders of magnitude) anisotropy along different (armchair or zigzag) directions, which is consistent with the anisotropic electronic band structure of phosphorene. Remarkably, the I-V relation exhibits distinct responses with a marked change of the I-V relation along either the armchair or the zigzag directions depending on the type of molecules. Such selectivity and sensitivity to adsorption makes phosphorene a superior gas sensor that promises wide-ranging applications.
Subfields: Electrical and Electronic Engineering, Materials Chemistry
View Paper: https://www.semanticscholar.org/paper/86f078a3d9bf9d54ce125302c44d7ace051feb61
How researchers see this paper
The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.
In Electrical and Electronic Engineering
In Materials Chemistry
Citations in the corpus
- Chemical and structural stability of 2D layered materials (2019, background): “[138] Kou L Z, Frauenheim T and Chen C F 2014 Phosphorene as a superior gas sensor: selective adsorption and distinct I–V response J.”
- Ultrahigh sensitivity and layer-dependent sensing performance of phosphorene-based gas sensors (2015, positive): “It is noteworthy that the recent theoretical work by Kou et al. 26 also suggested that phosphorene is superior for gas sensing.”
- Frontiers of graphene and 2D material-based gas sensors for environmental monitoring (2020, background): “[371] Kou L, Frauenheim T and Chen C 2014 Phosphorene as a”