Expedition on surface adsorption of N-nitrosodiethylamine from rubber fumes on blue phosphorene sheets – a first-principles insight

In recent days, humans are easily exposed to many work-related health issues. N-nitrosodiethylamine (NDE), which is considered to be a harmful carcinogenic agent released from rubber-based industries imparts a long-lasting effect on human health and immunity system. The current research investigates the ability of the two-dimensional nanomaterial, blue phosphorene nanosheet (BPNS) to detect the presence of NDE in the environment. Besides, the electronic and structural characteristics of BPNS are initially explored and NDE target vapour is permitted to interact with the chief component, BPNS. We have also designed blue phosphorene device to study the adsorption properties of NDE vapours based on current–voltage characteristics. The adsorption attributes are accounted for the target vapour adsorbed chief component, the results suggest that BPNS can be employed in detecting NDE vapours.