Search query: Phosphorene

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abstract: We introduce the 2D counterpart of layered black phosphorus, which we call phosphorene, as an unexplored p type semiconducting material. Same as graphene and MoS2, single layer phosphorene is flexible and can be mechanically exfoliated. We find phosphorene to be stable and, unlike graphene, to have an inherent, direct, and appreciable band gap. Our ab initio calculations indicate that the band gap is direct, depends on the number of layers and the in layer strain, and is significantly larger than the bulk value of 0.31 0.36 eV. The observed photoluminescence peak of single layer phosphorene in the visible optical range confirms that the band gap is larger than that of the bulk system. Our transport studies indicate a hole mobility that reflects the structural anisotropy of phosphorene and complements n type MoS2. At room temperature, our few layer phosphorene field effect transistors with 1.0 mm channel length display a high on current of 194 mA/mm, a high hole field effect mobility of 286 cm(2)/V*s, and an on/off ratio of up to 10(4) We demonstrate the possibility of phosphorene integration by constructing a 2D CMOS inverter consisting of phosphorene PMOS and MoS2 NMOS transistors.
author_names: Han Liu

Adam T Neal

Zhen Zhu

Zhe Luo

Xianfan Xu

David Tomanek

Peide D Ye
title: Phosphorene: an unexplored 2D semiconductor with a high hole mobility.
venue: ACS nano
year: 2014

abstract: Phosphorene is a mono elemental, two dimensional (2D) substance with outstanding, highly directional properties and a bandgap that depends on the number of layers of the material1 8. Nanoribbons, meanwhile, combine the flexibility and unidirectional properties of one dimensional nanomaterials, the high surface area of 2D nanomaterials and the electron confinement and edge effects of both. The structures of nanoribbons can thus lead to exceptional control over electronic band structure, the emergence of novel phenomena and unique architectures for applications5,6,9 24. Phosphorene's intrinsically anisotropic structure has motivated numerous theoretical calculations of phosphorene nanoribbons (PNRs) predicting extraordinary properties5,6,12 24. So far, however, discrete PNRs have not been produced. Here we present a method for creating quantities of high quality, individual PNRs by ionic scissoring of macroscopic black phosphorus crystals. This top down process results in stable liquid dispersions of PNRs with typical widths of 4 50 nm, predominantly single layer thickness, measured lengths of up to 75 mm and aspect ratios of up to 1,000. The nanoribbons are atomically flat single crystals, aligned exclusively in the zigzag crystallographic orientation. The ribbons have remarkably uniform widths along their entire lengths, and are extremely flexible. These properties together with the ease of downstream manipulation via liquid phase methods should enable the search for predicted exotic states6,12 14,17 19,21, and an array of applications in which PNRs have been predicted to offer transformative advantages. These applications range from thermoelectric devices to high capacity fast charging batteries and integrated high speed electronic circuits6,14 16,20,23,24.Phosphorene nanoribbons are produced in liquids through the intercalation of black phosphorous crystals with lithium ions, enabling the search for predicted exotic states and applications of these nanoribbons.
author_names: Mitchell C Watts

Lorenzo Picco

F S Russell-Pavier

Patrick L Cullen

Thomas S Miller

Szymon Bartus

Oliver D Payton

Neal T Skipper

Vasiliki Tileli

Christopher A Howard
title: Production of phosphorene nanoribbons
venue: Nature
year: 2019

abstract: A fundamental understanding of the phonon transport mechanism is important for optimizing the efficiency of thermoelectric devices. In this study, we investigate the thermal transport properties of the oxidized form of phosphorene called phosphorene oxide (PO) by solving phonon Boltzmann transport equation based on first principles density functional theory. We reveal that PO exhibits a much lower thermal conductivity (2.42 7.08 W/mK at 300 K) than its pristine counterpart as well as other two dimensional materials. To comprehend the physical origin of such low thermal conductivity, we scrutinize the contribution of each phonon branch to the thermal conductivity by evaluating various mode dependent quantities including Gruneisen parameters, anharmonic three phonon scattering rate, and phase space of three phonon scattering processes. Our results show that its flexible puckered structure of PO leads to smaller sound velocities; its broken mirror symmetry allows more ZA phonon scattering; and the relatively free vibration of dangling oxygen atoms in PO gives rise to additional scattering resulting in further reduction in the phonon lifetime. These results can be verified by the fact that PO has larger phase space for three phonon processes than phosphorene. Furthermore we show that the thermal conductivity of PO can be optimized by controlling its size or its phonon mean free path, indicating that PO can be a promising candidate for low dimensional thermoelectric devices.
author_names: Seungjun Lee

Seoung-Hun Kang

Young-Kyun Kwon
title: Low Lattice Thermal Conductivity of a Two Dimensional Phosphorene Oxide
venue: Scientific Reports
year: 2019

abstract: The generation of green hydrogen (H2 energy using sunlight is of great significance to solve the worldwide energy and environmental issues. Particularly, photocatalytic H2 production is a highly promising strategy for solar to H2 conversion. Recently, various heterostructured photocatalysts with high efficiency and good stability have been fabricated. Among them, 2D/2D van der Waals (VDW) heterojunctions have received tremendous attention, since this architecture can promote the interfacial charge separation and transfer and provide massive reactive centers. On the other hand, currently, most photocatalysts are composed of metal elements with high cost, limited reserves, and hazardous environmental impact. Hence, the development of metal free photocatalysts is desirable. Here, a novel 2D/2D VDW heterostructure of metal free phosphorene/graphitic carbon nitride (g C3 N4 is fabricated. The phosphorene/g C3 N4 nanocomposite shows an enhanced visible light photocatalytic H2 production activity of 571 umol h 1 g 1 in 18 v% lactic acid aqueous solution. This improved performance arises from the intimate electronic coupling at the 2D/2D interface, corroborated by the advanced characterizations techniques, e.g. synchrotron based X ray absorption near edge structure, and theoretical calculations. This work not only reports a new metal free phosphorene/g C3 N4 photocatalyst but also sheds lights on the design and fabrication of 2D/2D VDW heterojunction for applications in catalysis, electronics, and optoelectronics.
author_names: Jingrun Ran

Weiwei Guo

Hailong Wang

Bicheng Zhu

Jiaguo Yu

Shizhang Qiao
title: Metal Free 2D/2D Phosphorene/g C3 N4 Van der Waals Heterojunction for Highly Enhanced Visible Light Photocatalytic H2 Production.
venue: Advanced materials
year: 2018

abstract: As the development of oxygen evolution co catalysts (OECs) is being actively undertaken, the tailored integration of those OECs with photoanodes is expected to be a plausible avenue for achieving highly efficient solar assisted water splitting. Here, we demonstrate that a black phosphorene (BP) layer, inserted between the OEC and BiVO4 can improve the photoelectrochemical performance of pre optimized OEC/BiVO4 (OEC: NiOOH, MnOx, and CoOOH) systems by 1.2~1.6 fold, while the OEC overlayer, in turn, can suppress BP self oxidation to achieve a high durability. A photocurrent density of 4.48 mA*cm 2 at 1.23 V vs reversible hydrogen electrode (RHE) is achieved by the NiOOH/BP/BiVO4 photoanode. It is found that the intrinsic p type BP can boost hole extraction from BiVO4 and prolong holes trapping lifetime on BiVO4 surface. This work sheds light on the design of BP based devices for application in solar to fuel conversion, and also suggests a promising nexus between semiconductor and electrocatalyst.Photoelectrochemical water splitting affords an integrated approach for converting light to fuel, but devices typically suffer poor activities and stabilities. Here, authors incorporate black phosphorene into bismuth vanadate photoanodes to boost hole extraction and device lifetimes.
author_names: Kan Zhang

Bingjun Jin

Cheolwoo Park

Yoonjun Cho

Xiufeng Song

Xinjian Shi

Shengli Zhang

Wooyul Kim

Haibo Zeng

Jong Hyeok Park
title: Black phosphorene as a hole extraction layer boosting solar water splitting of oxygen evolution catalysts
venue: Nature Communications
year: 2019

abstract: Phosphorene, also known as single or few layer black phosphorus (FLBP) is a new member of the two dimensional (2D) material family and has attracted significant attention in recent years for applications in optoelectronics, energy storage and biomedicine due to its unique physicochemical properties and excellent biocompatibility. FLBP is regarded as a potential biological imaging agent for cancer diagnosis due to its intrinsic fluorescence (FL) and photoacoustic (PA) properties and negligible cytotoxicity. FLBP based photothermal and photodynamic therapies have emerged with excellent anti tumour therapeutic efficacies due to their unique physical properties, such as near infrared (NIR) optical absorbance, large extinction coefficients, biodegradability and reactive oxygen species (ROS) or heat generation upon light irradiation. Furthermore, FLBP is a promising drug delivery platform because of its high drug loading capacity due to its puckered layer structure with an ultralarge surface area, and FLBP is size controllable with facile surface chemical modification. Because of the marked advantages of FLBP nanomaterials in biomedical applications, an overview of the latest progress and paradigms of FLBP based nanoplatforms for multidisciplinary biomedical applications is presented in this tutorial review.
author_names: Meng Qiu

Wen Xiu Ren

Tae-Hyeon Jeong

Miae Won

Geun Young Park

David Kipkemoi Sang

Li-ping Liu

Han Zhang

Jong Seung Kim
title: Omnipotent phosphorene: a next generation, two dimensional nanoplatform for multidisciplinary biomedical applications.
venue: Chemical Society reviews
year: 2018

abstract: Two dimensional materials have allowed for great advances in the biosensors field and to obtain sophisticated, smart, and miniaturized devices. In this work, we optimized a highly sensitive and selective phenol biosensor using 2D pnictogens (phosphorene, arsenene, antimonene, and bismuthene) as sensing platforms. Exfoliated pnictogen were obtained by the shear force method, undergoing delamination and downsizing to thin nanosheets. Interestingly, compared with the other tested elements, antimonene exhibited the highest degree of exfoliation and the lowest oxidation to bulk ratio, to which we attribute its enhanced performance in the phenol biosensor system reported here. The proposed design represents the first biosensor approach developed using exfoliated pnictogens beyond phosphorene.
author_names: Carmen C Mayorga-Martinez

Rui Gusmao

Zdenek Sofer

Martin Pumera
title: Pnictogen Based Enzymatic Phenol Biosensors: Phosphorene, Arsenene, Antimonene, and Bismuthene.
venue: Angewandte Chemie
year: 2019

abstract: Abstract We report on a first principles study of the electronic and transport properties of pristine, B C N O doped blue phosphorene (BlueP) with the adsorption of gas molecules NH3, NO, NO2, CO, and CO2. The adsorption distances, adsorption energies, charge transfer, density of states (DOS) and transmission spectra of these gas molecules on molecules on doped as well as undoped BlueP is systematically investigated in this work. Our calculations show that the adsorption energy of NO and NO2 on pristine BlueP is the largest among the considered gas molecules, suggesting that pristine BlueP is more sensitive to these two gases. The results indicate that the pristine BlueP exhibits a weak sensitivity to NH3 and CO molecules, while B doped BlueP strongly adsorbs NH3 and CO by way of strong chemical bonds. C doped BlueP can enhance the sensitivity to NH3 gas molecules. The current voltage (I V) characteristics of the sensors are calculated using non equilibrium the Green's function (NEGF) formalism. Theses sensors show characteristic responses along both the zigzag and the armchair directions depending on the type of the gas molecules.
author_names: Fatemeh Safari

Mahdi Moradinasab

Morteza Fathipour

Hans Kosina
title: Adsorption of the NH3, NO, NO2, CO2, and CO gas molecules on blue phosphorene: A first principles study
year: 2019

abstract: Abstract Non Equilibrium Green's function (NEGF) and density functional theory (DFT) method is employed in exploring the geometric, electronic and adsorption aspects of phosgene (COCl2) on phosphorene nanosheet based molecular device. Further, the attributes such as Bader charge transfer, energy band gap, and average energy gap variation assists in scrutinizing the surface assimilating properties of COCl2 gas on phosphorene nanosheet. Besides, the detection properties of COCl2 gas molecules using the phosphorene nanosheet device are evidenced by the transmission spectrum and V I characteristics. Thus, the current work establishes the foundation for employing phosphorene nanosheet based molecular device in sensing COCl2 gas molecules.
author_names: R Bhuvaneswari

Ramanathan Chandiramouli
title: First principles investigation on detection of phosgene gas molecules using phosphorene nanosheet device
venue: Chemical Physics Letters
year: 2019

abstract: Abstract Based on spin polarized DFT calculations, we have studied the interaction mechanism of recently synthesized blue phosphorene (BlueP) monolayers towards selected key volatile organic compounds (VOCs) such as acetone, ethanol and propanal. Our binding energy analysis shows that pristine BlueP weakly binds the VOCs and that this binding does not appreciably change the electronic properties of the monolayer a prerequisite for any sensing material. However, mono, di, and tri vacancy defects and Si/S substitutional doping significantly enhance the binding energies with VOCs. Density of state (DOS) calculations show that upon adsorption of VOCs, mono vacancy and S substituted BlueP monolayers undergo a major change in electronic structure, which make them potential candidates for VOCs sensing materials. By contrast, binding of VOCs to di and tri vacancy and Si substitution sites does not alter the electronic structure of BlueP monolayers drastically, therefore, are not qualified for VOCs sensing applications.
author_names: Suyang Sun

Tanveer Hussain

Wei Zhang

Amir Karton
title: Blue phosphorene monolayers as potential nano sensors for volatile organic compounds under point defects
venue: Applied Surface Science
year: 2019