Improving room-temperature trace NO2 sensing of black phosphorus nanosheets by incorporating benzyl viologen

Ren, Hao; Zhou, Yong; Wang, Yanjie; Zhu, Xiangyi; Gao, Chao; Guo, Yongcai

doi:10.1016/j.snb.2020.128520

Cited by 36 publications

(23 citation statements)

References 26 publications

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“…The band gap calculated after Ni decoration turns out to be an indirect band gap with a value of about 0.68 eV, which is decreased by 25% from the calculated value of pristine phosphorene equal to 0.9 eV. From the DOS graph reported in ref ( 38 ), the corresponding peak of the new band created by nickel doping can be clearly seen.…”

Section: Resultsmentioning

confidence: 73%

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Elucidating the Ambient Stability and Gas Sensing Mechanism of Nickel-Decorated Phosphorene for NO₂ Detection: A First-Principles Study

et al. 2022

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In the field of layered two-dimensional functional materials, black phosphorus has attracted considerable attention in many applications due to its outstanding electrical properties. It has experimentally shown superior chemical sensing performance for the room temperature detection of NO 2 , highlighting high sensitivity at a ppb level. Unfortunately, pristine black phosphorus demonstrated an unstable functionality due to the fast degradation of the material when exposed to the ambient atmosphere. In the present work, a deepened investigation by density functional theory was carried out to study how nickel decoration of phosphorene can improve the stability of the material. Further, an insight into the sensing mechanism of nickel-loaded phosphorene toward NO 2 was given and compared to pristine phosphorene. This first-principles study proved that, by introducing nickel adatoms, the band gap of the material decreases and the positions of the conduction band minimum and the valence band maximum move toward each other, resulting in a drop in the conduction band minimum under the redox potential of O 2 /O 2 – , which may result in a more stable material. Studying the adsorption of O 2 molecules on pristine phosphorene, we also proved that all oxygen molecules coming from the surrounding atmosphere react with phosphorus atoms in the layer, resulting in the oxidation of the material forming oxidized phosphorus species (PO x ). Instead, by introducing nickel adatoms, part of the oxygen from the surrounding atmosphere reacts with nickel atoms, resulting in a decrease of the oxidation rate of the material and in subsequent long-term stability of the device. Finally, possible reaction paths for the detection of NO 2 are given by charge transfer analyses, occurring at the surface during the adsorption of oxygen molecules and the interaction with the target gas.

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Section: Resultsmentioning

confidence: 73%

“…After relaxation of the system, the GGA_PBE approximation was adopted to calculate the band structure and the density of states of nickel-decorated phosphorene as previously reported in ref ( 38 ). Before going further, it is worthwhile to recall the principle of doping in semiconductors.…”

Section: Resultsmentioning

confidence: 99%

Elucidating the Ambient Stability and Gas Sensing Mechanism of Nickel-Decorated Phosphorene for NO₂ Detection: A First-Principles Study

et al. 2022

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“…However, BP materials still exhibit the limitations of incomplete recovery and challenging reproducibility, particularly in detecting strongly oxidizing NO 2 gas. Ren et al [41] incorporated benzyl viologen (BV) with BP to improve such phenomena and analyzed the underlying sensing mechanism. The BP material benefited from its honeycomb fold structure and provided abundant adsorption sites during NO 2 detection, including highand low-energy sites that were more challenging and easier to desorb, respectively.…”

Section: Gas Sensor Detection Mechanismmentioning

confidence: 99%

Section: Detection Mechanisms Of Ldbp‐based Sensorsmentioning

confidence: 99%

Low‐Dimensional Black Phosphorus in Sensor Applications: Advances and Challenges

Zhang

Bi³

et al. 2021

Adv Funct Materials

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Low-dimensional black phosphorus (LDBP) materials have emerged, with considerable application potential in sensing due to their unique folded structures and remarkable physicochemical properties. These include anisotropies, layer-dependent and tunable band gaps, high carrier mobilities, high current switching ratios, and excellent electron donor capacities. As a type of supporting material that is favorable to signal transmission or reception, LDBP is widely researched in piezoelectric, flexible, chemical, and biomolecular sensors. This review summarizes the synthetic methods, properties, and modification strategies of LDBP, and then mainly focuses on the research progress in LDBP-based sensor applications, including physical and chemical sensors and biosensors. The major issues in LDBP-based sensor applications are also discussed. Finally, the prospects and challenges in the field of LDBPbased sensors are analyzed.

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“…Among molecular building blocks, viologens (V) have attracted much attention in the field of surface electrochemistry since they can be applied as chromophores, electron-transfer mediators and gating molecules. 1,2,24–27 The reduced, uncharged species (V 0 ), has been recently recognized as an ideal n-dopant for various carbon nanostructures including nanotubes 28,29 and graphene 30 as well as for other 2D materials 31–36 as it has the lowest reduction potential among all electron-donor organic molecules. Accordingly, reduced viologen was chemically synthesized for doping purposes of graphene by reduction with NaBH 4 in toluene/water mix, followed by spin or dip coating on the substrate.…”

Section: Introductionmentioning

confidence: 99%

Doping of graphene via adlayer formation of electrochemically reduced dibenzyl viologen

et al. 2022

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Improving room-temperature trace NO2 sensing of black phosphorus nanosheets by incorporating benzyl viologen

Cited by 36 publications

References 26 publications

Elucidating the Ambient Stability and Gas Sensing Mechanism of Nickel-Decorated Phosphorene for NO₂ Detection: A First-Principles Study

Elucidating the Ambient Stability and Gas Sensing Mechanism of Nickel-Decorated Phosphorene for NO₂ Detection: A First-Principles Study

Low‐Dimensional Black Phosphorus in Sensor Applications: Advances and Challenges

Doping of graphene via adlayer formation of electrochemically reduced dibenzyl viologen

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Improving room-temperature trace NO2 sensing of black phosphorus nanosheets by incorporating benzyl viologen

Cited by 36 publications

References 26 publications

Elucidating the Ambient Stability and Gas Sensing Mechanism of Nickel-Decorated Phosphorene for NO2 Detection: A First-Principles Study

Elucidating the Ambient Stability and Gas Sensing Mechanism of Nickel-Decorated Phosphorene for NO2 Detection: A First-Principles Study

Low‐Dimensional Black Phosphorus in Sensor Applications: Advances and Challenges

Doping of graphene via adlayer formation of electrochemically reduced dibenzyl viologen

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Product

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Elucidating the Ambient Stability and Gas Sensing Mechanism of Nickel-Decorated Phosphorene for NO₂ Detection: A First-Principles Study

Elucidating the Ambient Stability and Gas Sensing Mechanism of Nickel-Decorated Phosphorene for NO₂ Detection: A First-Principles Study