Alkali metal doping of black phosphorus monolayer for ultrasensitive capture and detection of nitrogen dioxide

Abstract Black phosphorus nanostructures have recently sparked substantial research interest for the rational development of novel chemosensors and nanodevices. For the first time, the influence of alkali metal doping of black phosphorus monolayer (BP) on its capabilities for nitrogen dioxide (NO2)...

Full description

Bibliographic Details
Main Authors: Azam Marjani, Mehdi Ghambarian, Mohammad Ghashghaee
Format: Article
Language:English
Published: Nature Portfolio 2021-01-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-020-80343-9
_version_ 1818734034877939712
author Azam Marjani
Mehdi Ghambarian
Mohammad Ghashghaee
author_facet Azam Marjani
Mehdi Ghambarian
Mohammad Ghashghaee
author_sort Azam Marjani
collection DOAJ
description Abstract Black phosphorus nanostructures have recently sparked substantial research interest for the rational development of novel chemosensors and nanodevices. For the first time, the influence of alkali metal doping of black phosphorus monolayer (BP) on its capabilities for nitrogen dioxide (NO2) capture and monitoring is discussed. Four different nanostructures including BP, Li-BP, Na-BP, and K-BP were evaluated; it was found that the adsorption configuration on Li-BP was different from others such that the NO2 molecule preferred a vertical stabilization rather than a parallel configuration with respect to the surface. The efficiency for the detection increased in the sequence of Na-BP < BP < K-BP < Li-BP, with the most significant improvement of + 95.2% in the case of Li doping. The Na-BP demonstrated the most compelling capacity (54 times higher than BP) for NO2 capture and catalysis (− 24.36 kcal/mol at HSE06/TZVP). Furthermore, the K-doped device was appropriate for both nitrogen dioxide adsorption and sensing while also providing the highest work function sensitivity (55.4%), which was much higher than that of BP (10.4%).
first_indexed 2024-12-17T23:58:57Z
format Article
id doaj.art-9af38eeddd28480ebd263681a7e89375
institution Directory Open Access Journal
issn 2045-2322
language English
last_indexed 2024-12-17T23:58:57Z
publishDate 2021-01-01
publisher Nature Portfolio
record_format Article
series Scientific Reports
spelling doaj.art-9af38eeddd28480ebd263681a7e893752022-12-21T21:27:59ZengNature PortfolioScientific Reports2045-23222021-01-0111111110.1038/s41598-020-80343-9Alkali metal doping of black phosphorus monolayer for ultrasensitive capture and detection of nitrogen dioxideAzam Marjani0Mehdi Ghambarian1Mohammad Ghashghaee2Department for Management of Science and Technology Development, Ton Duc Thang UniversityGas Conversion Department, Faculty of Petrochemicals, Iran Polymer and Petrochemical InstituteDepartment of Petrochemical Synthesis, Faculty of Petrochemicals, Iran Polymer and Petrochemical InstituteAbstract Black phosphorus nanostructures have recently sparked substantial research interest for the rational development of novel chemosensors and nanodevices. For the first time, the influence of alkali metal doping of black phosphorus monolayer (BP) on its capabilities for nitrogen dioxide (NO2) capture and monitoring is discussed. Four different nanostructures including BP, Li-BP, Na-BP, and K-BP were evaluated; it was found that the adsorption configuration on Li-BP was different from others such that the NO2 molecule preferred a vertical stabilization rather than a parallel configuration with respect to the surface. The efficiency for the detection increased in the sequence of Na-BP < BP < K-BP < Li-BP, with the most significant improvement of + 95.2% in the case of Li doping. The Na-BP demonstrated the most compelling capacity (54 times higher than BP) for NO2 capture and catalysis (− 24.36 kcal/mol at HSE06/TZVP). Furthermore, the K-doped device was appropriate for both nitrogen dioxide adsorption and sensing while also providing the highest work function sensitivity (55.4%), which was much higher than that of BP (10.4%).https://doi.org/10.1038/s41598-020-80343-9
spellingShingle Azam Marjani
Mehdi Ghambarian
Mohammad Ghashghaee
Alkali metal doping of black phosphorus monolayer for ultrasensitive capture and detection of nitrogen dioxide
Scientific Reports
title Alkali metal doping of black phosphorus monolayer for ultrasensitive capture and detection of nitrogen dioxide
title_full Alkali metal doping of black phosphorus monolayer for ultrasensitive capture and detection of nitrogen dioxide
title_fullStr Alkali metal doping of black phosphorus monolayer for ultrasensitive capture and detection of nitrogen dioxide
title_full_unstemmed Alkali metal doping of black phosphorus monolayer for ultrasensitive capture and detection of nitrogen dioxide
title_short Alkali metal doping of black phosphorus monolayer for ultrasensitive capture and detection of nitrogen dioxide
title_sort alkali metal doping of black phosphorus monolayer for ultrasensitive capture and detection of nitrogen dioxide
url https://doi.org/10.1038/s41598-020-80343-9
work_keys_str_mv AT azammarjani alkalimetaldopingofblackphosphorusmonolayerforultrasensitivecaptureanddetectionofnitrogendioxide
AT mehdighambarian alkalimetaldopingofblackphosphorusmonolayerforultrasensitivecaptureanddetectionofnitrogendioxide
AT mohammadghashghaee alkalimetaldopingofblackphosphorusmonolayerforultrasensitivecaptureanddetectionofnitrogendioxide