Delayed diagnosis of cancer using conventional diagnostic modalities needs to be addressed to reduce the mortality rate of cancer. Recently, 2D nanomaterial-enabled advanced biosensors have shown potential towards the early diagnosis of cancer. The high surface area, surface functional groups availability, and excellent electrical conductivity of MXene make it the 2D material of choice for the fabrication of advanced electrochemical biosensors for disease diagnostics. MXene-enabled electrochemical aptasensors have shown great promise for the detection of cancer biomarkers with a femtomolar limit of detection. Additionally, the stability, ease of synthesis, good reproducibility, and high specificity offered by MXene-enabled aptasensors hold promise to be the mainstream diagnostic approach. In this review, the design and fabrication of MXene-based electrochemical aptasensors for the detection of cancer biomarkers have been discussed. Besides, various synthetic processes and useful properties of MXenes which can be tuned and optimized easily and efficiently to fabricate sensitive biosensors have been elucidated. Further, futuristic sensing applications along with challenges will be deliberated herein. 

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Next-Generation Intelligent MXene-Based Electrochemical Aptasensors for Point-of-Care Cancer Diagnostics

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Two-dimensional (2D) materials have attracted numerous investigations after the discovery of graphene. 2D van der Waals (vdW) heterostructures are a new generation of layered materials, which can provide more desirable applications. In this study, the first principles calculation was implemented to study the heterostructures based on Janus TMDs (MoSSe and WSSe) and Mg(OH)2 monolayers, which were constructed by vdW interactions. Both MoSSe/Mg(OH)2 and WSSe/Mg(OH)2 vdW heterostructures have thermal and dynamic stability. Besides, XSSe/Mg(OH)2 (X = Mo, W) possesses a direct bandgap with a type-I band alignment, which provides promising applications for light-emitting devices. The charge density difference was investigated, and 0.003 (or 0.0042) |e| were transferred from MoSSe (or WSSe) layer to Mg(OH)2 layer, and the potential drops were calculated to be 11.59 and 11.44 eV across the interface of the MoSSe/Mg(OH)2 and WSSe/Mg(OH)2 vdW heterostructures, respectively. Furthermore, the MoSSe/Mg(OH)2 and WSSe/Mg(OH)2 vdW heterostructures have excellent optical absorption wave. Our studies exhibit an effective method to construct new heterostructures based on Janus TMDs and develop their applications for future light emitting devices.

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Electronic and optical properties of two-dimensional heterostructures based on Janus XSSe (X = Mo, W) and Mg(OH)2: a first principles investigation

For the few years, two-dimensional (2D) materials have aroused general focus. In order to expand the properties and application range of 2D materials, two different layered materials are usually combined into heterostructure through van der Waals (vdW) interaction. In this research, based on first-principles simulation, we propose CdO/Arsenene (CdO/As) vdW heterostructure as a semiconductor possessing a direct bandgap by 2.179 eV. Besides, the CdO/As vdW heterostructure presents type-II band alignment, which can be used as a remarkable photocatalyst. Importantly, the CdO/As heterostructure demonstrates a direct Z-type principle photocatalyst by exploring the band bending mechanism in the heterostructure. Furthermore, we calculated the light absorption characteristics of CdO/As vdW heterostructure by optical absorption spectrum and conversion efficiency of a novel solar-to-hydrogen efficiency (ηSTH) about 11.67%, which is much higher than that of other 2D photocatalysts. Our work can provide a theoretical guidance for the designing of Z-scheme photocatalyst.

Band Bending Mechanism in CdO/Arsenene Heterostructure: A Potential Direct Z-scheme Photocatalyst

Recently, a two-dimensional (2D) heterostructure has been widely investigated as a photocatalyst to decompose water using the extraordinary type-II band structure. In this work, the MoTe2/PtS2 van der Waals heterostructure (vdWH) is constructed with different stacking structures. Based on density functional calculations, the stacking-dependent electronic characteristic is explored, so that the MoTe2/PtS2 vdWH possesses type-I and type-II band structures for the light-emitting device and photocatalyst, respectively, with decent stacking configurations. The band alignment of the MoTe2/PtS2 vdWH is also addressed to obtain suitable band edge positions for water-splitting at pH 0. Furthermore, the potential drop is investigated, resulting from charge transfer between the MoTe2 and PtS2, which is another critical promotion to prevent the recombination of the photogenerated charges. Additionally, the MoTe2/PtS2 vdWH also demonstrates a novel and excellent optical absorption capacity in the visible wavelength range. Our work suggests a theoretical guide to designing and tuning the 2D heterostructure using photocatalytic and photovoltaic devices.

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Stacking-Mediated Type-I/Type-II Transition in Two-Dimensional MoTe2/PtS2 Heterostructure: A First-Principles Simulation

After the discovery of graphene, a lot of research has been conducted on two-dimensional (2D) materials. In order to increase the performance of 2D materials and expand their applications, two different layered materials are usually combined by van der Waals (vdW) interactions to form a heterostructure. In this work, based on first-principles calculation, some charming properties of the heterostructure constructed by Hf2CO2, AlN and GaN are addressed. The results show that Hf2CO2/AlN and Hf2CO2/GaN vdW heterostructures can keep their original band structure shape and have strong thermal stability at 300 K. In addition, the Hf2CO2/MN heterostructure has I-type band alignment structure, which can be used as a promising light-emitting device material. The charge transfer between the Hf2CO2 and AlN (or GaN) monolayers is 0.1513 (or 0.0414) |e|. The potential of Hf2CO2/AlN and Hf2CO2/GaN vdW heterostructures decreases by 6.445 eV and 3.752 eV, respectively, across the interface. Furthermore, both Hf2CO2/AlN and Hf2CO2/GaN heterostructures have remarkable optical absorption capacity, which further shows the application prospect of the Hf2CO2/MN heterostructure. The study of this work provides theoretical guidance for the design of heterostructures for use as photocatalytic and photovoltaic devices.

Electronic and Optical Properties of Atomic-Scale Heterostructure Based on MXene and MN (M = Al, Ga): A DFT Investigation.

Recently, expanding the applications of two-dimensional (2D) materials by constructing van der Waals (vdW) heterostructures has become very popular. In this work, the structural, electronic and optical absorption performances of the heterostructure based on AlN and Zr2CO2 monolayers are studied by first-principles simulation. It is found that AlN/Zr2CO2 heterostructure is a semiconductor with a band gap of 1.790 eV. In the meanwhile, a type-I band structure is constructed in AlN/Zr2CO2 heterostructure, which can provide a potential application of light emitting devices. The electron transfer between AlN and Zr2CO2 monolayer is calculated as 0.1603 |e| in the heterostructure, and the potential of AlN/Zr2CO2 heterostructure decreased by 0.663 eV from AlN layer to Zr2CO2 layer. Beisdes，the AlN/Zr2CO2 vdW heterostructure possesses excellent light absorption ability of in visible light region. Our research provides a theoretical guidance for the designing of advanced functional heterostructures.

Qingyun Sun

Papers

Electronic and Optical Properties of Atomic-Scale Heterostructure Based on MXene and MN (M = Al, Ga): A DFT Investigation.

Band Bending Mechanism in CdO/Arsenene Heterostructure: A Potential Direct Z-scheme Photocatalyst

Ab Initio Calculations for the Electronic, Interfacial and Optical Properties of Two-Dimensional AlN/Zr2CO2 Heterostructure