Mn-Doped black phosphorene for ultrasensitive hydrogen sulfide detection: periodic DFT calculations
Mahdi Ghadiri, Mohammad Ghashghaee, Mehdi Ghambarian
Abstract
S nanosensor in terms of both electric conductance (3747) and work function (11 times more sensitive) through Mn doping. The new sensor was also highly selective, with a sensitivity ratio of at least 52.6 with respect to the air components. The recovery time of the Mn-doped material (2.7 s at ambient temperature) was more promising than that of BP from a practical point of view. More discussion of the material is presented with the electronic properties, frontier molecular orbitals, and density of states at rest and under operating conditions.
Topics & Concepts
PhosphoreneBlack phosphorusMonolayerDopingMaterials scienceConductanceNanosensorWork functionHydrogen sulfideNanotechnologyChemical physicsInorganic chemistryChemistryOptoelectronicsCondensed matter physicsPhysicsLayer (electronics)MetallurgySulfur2D Materials and ApplicationsPerovskite Materials and ApplicationsMXene and MAX Phase Materials