B sub(36) borophene as an electronic sensor for formaldehyde: Quantum chemical analysis

Pristine carbon nanotubes and graphene show great sensitivity toward several lethal gases but cannot identify some extremely toxic chemicals such as formaldehyde (HCOH). Recent successful synthesis of all-boron graphene-like sheets attracted strong interest in exploring their possible applications....

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Bibliographic Details
Published in:Physics letters. A 2016-08, Vol.380 (34), p.2664-2668
Main Authors: Kootenaeia, Amirhossein Shahbazi, Ansarib, Goodarz
Format: Article
Language:English
Subjects:
Density functional theory
Electrical resistivity
Electronics
Formaldehyde
Graphene
Sensors
Solid state physics
Synthesis
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Summary:Pristine carbon nanotubes and graphene show great sensitivity toward several lethal gases but cannot identify some extremely toxic chemicals such as formaldehyde (HCOH). Recent successful synthesis of all-boron graphene-like sheets attracted strong interest in exploring their possible applications. Herein, we inspected the potential application of B sub(36) borophene sheet as a sensor for HCOH detection, using density functional theory computations. Different theoretical levels including B97D and Minnesota 06 functionals with different basis sets were employed. It was predicted that the electrical conductivity of B sub(36) borophene significantly increases at the presence of HCOH molecules, thereby generating an electrical signal. The electrical signal is increased by increasing the number of adsorbed HCOH molecules, indicating that this sensor is sensitive to the concentration (or pressure) of HCOH gas. These results suggest that the pristine borophene may be used in the HCOH chemical sensors.
ISSN:0375-9601
DOI:10.1016/j.physleta.2016.06.016