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

Lü

Phys. Chem. Chem. Phys.

et al. 2016

111

We have studied the mechanical properties and phonon dispersions of fully hydrogenated borophene (borophane) under strains by first principles calculations. Uniaxial tensile strains along the a-and b-direction, respectively, and biaxial tensile strain have been considered. Our results show that the mechanical properties and phonon stability of borophane are both highly anisotropic. The ultimate tensile strain along the a-direction is only 0.12, but it can be as large as 0.30 along the b-direction. Compared to borophene and other 2D materials (graphene, graphane, silicene, silicane, h-BN, phosphorene and MoS 2 ), borophane presents the most remarkable anisotropy in inplane ultimate strain, which is very important for strain engineering. Furthermore, the phonon dispersions under the three applied strains indicate that borophane can withstand up to 5% and 15% uniaxial tensile strain along the a-and b-direction, respectively, and 9% biaxial tensile strain, indicating that mechanical failure in borophane is likely to originate from phonon instability.

Section: Introductionmentioning

confidence: 99%

High anisotropy of fully hydrogenated borophene

Lü

Phys. Chem. Chem. Phys.

et al. 2016

111

“…They reported good binding energies for all gases except CO 2 [ 143 ]. More computational literature can be found for other molecules like formaldehyde [ 144 ] and hydrogen cyanide [ 145 ]. Some recent publications have also reported a few non-enzyme borophene-based biosensors.…”

Section: Salient Applications Of 2d Materialsmentioning

confidence: 99%

2D materials: increscent quantum flatland with immense potential for applications

et al. 2022

Quantum flatland i.e., the family of two dimensional (2D) quantum materials has become increscent and has already encompassed elemental atomic sheets (Xenes), 2D transition metal dichalcogenides (TMDCs), 2D metal nitrides/carbides/carbonitrides (MXenes), 2D metal oxides, 2D metal phosphides, 2D metal halides, 2D mixed oxides, etc. and still new members are being explored. Owing to the occurrence of various structural phases of each 2D material and each exhibiting a unique electronic structure; bestows distinct physical and chemical properties. In the early years, world record electronic mobility and fractional quantum Hall effect of graphene attracted attention. Thanks to excellent electronic mobility, and extreme sensitivity of their electronic structures towards the adjacent environment, 2D materials have been employed as various ultrafast precision sensors such as gas/fire/light/strain sensors and in trace-level molecular detectors and disease diagnosis. 2D materials, their doped versions, and their hetero layers and hybrids have been successfully employed in electronic/photonic/optoelectronic/spintronic and straintronic chips. In recent times, quantum behavior such as the existence of a superconducting phase in moiré hetero layers, the feasibility of hyperbolic photonic metamaterials, mechanical metamaterials with negative Poisson ratio, and potential usage in second/third harmonic generation and electromagnetic shields, etc. have raised the expectations further. High surface area, excellent young’s moduli, and anchoring/coupling capability bolster hopes for their usage as nanofillers in polymers, glass, and soft metals. Even though lab-scale demonstrations have been showcased, large-scale applications such as solar cells, LEDs, flat panel displays, hybrid energy storage, catalysis (including water splitting and CO2 reduction), etc. will catch up. While new members of the flatland family will be invented, new methods of large-scale synthesis of defect-free crystals will be explored and novel applications will emerge, it is expected. Achieving a high level of in-plane doping in 2D materials without adding defects is a challenge to work on. Development of understanding of inter-layer coupling and its effects on electron injection/excited state electron transfer at the 2D-2D interfaces will lead to future generation heterolayer devices and sensors.

“…For example, borophene, a single layer of boron atoms, and related derivatives have been prepared recently [ 232 – 236 ]. A number of theoretical investigations have shown their potential applications in the chemiresistive type of gas sensors for VOCs such as ethanol [ 237 ], formaldehyde [ 238 ], acetaldehyde [ 239 ], and propanal [ 239 ], as well as uncommon toxic gases such as HCN [ 240 ], COCl 2 , and CO [ 241 ]. These novel 2D material-based gas sensing systems require further experimental exploitations.…”

Section: Summary and Outlooksmentioning

confidence: 99%

Recent Development of Gas Sensing Platforms Based on 2D Atomic Crystals

et al. 2021

Sensors, capable of detecting trace amounts of gas molecules or volatile organic compounds (VOCs), are in great demand for environmental monitoring, food safety, health diagnostics, and national defense. In the era of the Internet of Things (IoT) and big data, the requirements on gas sensors, in addition to sensitivity and selectivity, have been increasingly placed on sensor simplicity, room temperature operation, ease for integration, and flexibility. The key to meet these requirements is the development of high-performance gas sensing materials. Two-dimensional (2D) atomic crystals, emerged after graphene, have demonstrated a number of attractive properties that are beneficial to gas sensing, such as the versatile and tunable electronic/optoelectronic properties of metal chalcogenides (MCs), the rich surface chemistry and good conductivity of MXenes, and the anisotropic structural and electronic properties of black phosphorus (BP). While most gas sensors based on 2D atomic crystals have been incorporated in the setup of a chemiresistor, field-effect transistor (FET), quartz crystal microbalance (QCM), or optical fiber, their working principles that involve gas adsorption, charge transfer, surface reaction, mass loading, and/or change of the refractive index vary from material to material. Understanding the gas-solid interaction and the subsequent signal transduction pathways is essential not only for improving the performance of existing sensing materials but also for searching new and advanced ones. In this review, we aim to provide an overview of the recent development of gas sensors based on various 2D atomic crystals from both the experimental and theoretical investigations. We will particularly focus on the sensing mechanisms and working principles of the related sensors, as well as approaches to enhance their sensing performances. Finally, we summarize the whole article and provide future perspectives for the development of gas sensors with 2D materials.