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1.
Artigo em Inglês | MEDLINE | ID: mdl-33067790

RESUMO

Phthalate esters (PAEs) are widely used in the manufacturing of plastics, and their demands have grown rapidly, especially in China, which will lead to much more environmental pollution of PAEs. In this study, fourteen common PAEs in ambient air were investigated during non-typhoon and typhoon seasons in a mixed multi-functional area of Hangzhou, China. The average concentrations of ∑14 PAEs in gaseous and PM2.5-bound phase (G-PAEs and P-PAEs) were 2317 ng/m3 and 128 ng/m3 during sampling period, while the mean concentrations of total PAEs in non-typhoon and typhoon seasons were 2412 ng/m3 and 2183 ng/m3, respectively. Bis(2-ethylhexyl)phthalate (DEHP) was the most abundant one, averagely accounting for 63.2% of G-PAEs and 88.3% of P-PAEs. Relative humidity showed a significant negative correlation with short-chain PAE (r = - 0.479, P < 0.01) and long-chain PAE (r = - 0.305, P < 0.05) concentrations in non-typhoon and typhoon seasons, and O3 could degrade G-PAEs through photoreaction. Source identification by the positive matrix factorization model and conditional probability function indicated that P-PAEs were mainly from the release from indoor environment (43%), PVC source (34%), construction source (12%), and industry source (11%). Air mass transport from both inland and oceans affected the PAE pollution in non-typhoon season, while its long-range transport from oceans took an important role in typhoon season. The daily inhalation intakes of PAEs for infants, teenagers, and adults were estimated, which showed that infants experienced the highest exposure risk.

3.
Nat Commun ; 11(1): 2453, 2020 May 15.
Artigo em Inglês | MEDLINE | ID: mdl-32415180

RESUMO

Two-dimensional materials provide extraordinary opportunities for exploring phenomena arising in atomically thin crystals. Beginning with the first isolation of graphene, mechanical exfoliation has been a key to provide high-quality two-dimensional materials, but despite improvements it is still limited in yield, lateral size and contamination. Here we introduce a contamination-free, one-step and universal Au-assisted mechanical exfoliation method and demonstrate its effectiveness by isolating 40 types of single-crystalline monolayers, including elemental two-dimensional crystals, metal-dichalcogenides, magnets and superconductors. Most of them are of millimeter-size and high-quality, as shown by transfer-free measurements of electron microscopy, photo spectroscopies and electrical transport. Large suspended two-dimensional crystals and heterojunctions were also prepared with high-yield. Enhanced adhesion between the crystals and the substrates enables such efficient exfoliation, for which we identify a gold-assisted exfoliation method that underpins a universal route for producing large-area monolayers and thus supports studies of fundamental properties and potential application of two-dimensional materials.

4.
Nano Lett ; 19(8): 4897-4903, 2019 Aug 14.
Artigo em Inglês | MEDLINE | ID: mdl-30973231

RESUMO

Creation of functional patterns in two-dimensional (2D) materials provides opportunities to extend their potential for applications. Transition-metal dichalcogenides (TMDCs) are suitable 2D materials for pattern generation because of properties including alterable polymorphic phases, easy chalcogen-vacancy formation, metal-atom insertion, and alloying. Such patterning can be used for selective functionalization. Here we report the spontaneous formation of long-range, well-ordered 1D patterns in monolayer vanadium diselenide (VSe2) by a single annealing stage during growth. Atomic-resolution images in real space combined with density-functional-theory (DFT) calculations reveal the 1D features of patterned VSe2. Further experimental characterization of the intermediate states in the growth process confirm the spontaneous formation of the 1D pattern by annealing-induced Se-deficient linear defects. The 1D pattern can be reversibly transformed to homogenous VSe2 monolayer by reintroducing Se atoms. Moreover, additional experiments demonstrate that a dispersive deposition of Pt atoms along the 1D structures of patterned VSe2 is achieved, while DFT calculations find that their catalytic activity for hydrogen evolution reaction (HER) is as good as that of Pt surfaces. The formation of long-range, well-ordered 1D patterns not only demonstrates an effective way of dimension modulation in 2D materials but also enriches the potential of intrinsically patterned 2D materials for promising catalytic activities.

5.
Phys Chem Chem Phys ; 21(1): 275-280, 2018 Dec 19.
Artigo em Inglês | MEDLINE | ID: mdl-30520926

RESUMO

GeP3 is a new kind of IV-V two dimensional material that has been predicted very recently. Here, we have theoretically explored the electronic properties of GeP3 nanoribbons (NRs) by employing first-principles calculations within density functional theory. We find that, unlike other monolayer materials, the bandgaps of armchair GeP3 NRs exhibit a strong even-odd oscillation as a function of nanoribbon width and such oscillations can remain intensive even when the width reaches up to 9 nm. The underlying physics of such oscillation originates from both the parity-dependent geometric symmetry and quantum size effects. Furthermore, we also find that suitable chemical decoration at the nanoribbon edge, e.g., by passivating hydrogen atoms, effectively tunes the indirect band gap into a direct one, making these nanoribbons potentially important for photovoltaic applications. Based on the strong bandgap oscillating nature of GeP3 NRs, we have conceptually designed a lateral homogenous heterojunction, constructed by GeP3 nanoribbons with different widths, which has shown a type-II band alignment beneficial for photo-detector applications.

6.
Nanoscale Res Lett ; 13(1): 404, 2018 Dec 12.
Artigo em Inglês | MEDLINE | ID: mdl-30542773

RESUMO

Searching for new stable free-standing atomically thin two-dimensional (2D) materials is of great interest in the fundamental and practical aspects of contemporary material sciences. Recently, the synthesis of layered SiAs single crystals has been realized, which indicates that their few layer structure can be mechanically exfoliated. Performing a first-principles density functional theory calculations, we proposed two dynamically and thermodynamically stable semiconducting SiAs and SiAs2 monolayers. Band structure calculation reveals that both of them exhibit indirect band gaps and an indirect to direct band even to metal transition are found by application of strain. Moreover, we find that SiAs and SiAs2 monolayers possess much higher carrier mobility than MoS2 and display anisotropic transportation like the black phosphorene, rendering them potential application in optoelectronics. Our works pave a new route at nanoscale for novel functionalities of optical devices.

7.
Materials (Basel) ; 11(10)2018 Oct 11.
Artigo em Inglês | MEDLINE | ID: mdl-30314320

RESUMO

On the basis of density functional theory (DFT) calculations, we propose a stable two-dimensional (2D) monolayer phosphorus carbide (PC) with a GaSe-like structure, which has intriguing electronic and optical properties. Our calculated results show that this 2D monolayer structure is more stable than the other allotropes predicted by Tománek et al. [Nano Lett., 2016, 16, 3247⁻3252]. More importantly, this structure exhibits superb optical absorption, which can be mainly attributed to its direct band gap of 2.65 eV. The band edge alignments indicate that the 2D PC monolayer structure can be a promising candidate for photocatalytic water splitting. Furthermore, we found that strain is an effective method used to tune the electronic structures varying from direct to indirect band-gap semiconductor or even to metal. In addition, the introduction of one carbon vacancy in such a 2D PC structure can induce a magnetic moment of 1.22 µB. Our findings add a new member to the 2D material family and provide a promising candidate for optoelectronic devices in the future.

8.
Nanoscale ; 10(29): 13969-13975, 2018 Aug 07.
Artigo em Inglês | MEDLINE | ID: mdl-30009303

RESUMO

First-principles calculations within density functional theory reveal the preferred structures of red phosphorus in the two-dimensional (2D) limit to be porous with intriguing structural, electronic, and chemical properties. These few-atomic-layer structures are stabilized as novel 2D clathrates with tunable pore sizes and varying semiconducting band gaps, labelled as V-Hex, P-Monoclinic, P-Hex, and V-Tetr in descending energetic stabilities. The cohesive energies of the 2D clathrates are all substantially higher than that of white phosphorus. More strikingly, the V-Hex structure is energetically as stable as black phosphorene, but possesses distinctly superior chemical stability when exposed to O2 due to the presence of a much higher activation barrier against chemisorption. We also exploit the salient properties of these 2D clathrates for their important application potentials, including serving as effective elemental photocatalysts for visible-light-driven water splitting, and as a new class of sieves for molecular separation and DNA sequencing.

9.
ACS Nano ; 12(6): 6117-6127, 2018 Jun 26.
Artigo em Inglês | MEDLINE | ID: mdl-29790339

RESUMO

Fast-growth of single crystal monolayer graphene by CVD using methane and hydrogen has been achieved on "homemade" single crystal Cu/Ni(111) alloy foils over large area. Full coverage was achieved in 5 min or less for a particular range of composition (1.3 at.% to 8.6 at.% Ni), as compared to 60 min for a pure Cu(111) foil under identical growth conditions. These are the bulk atomic percentages of Ni, as a superstructure at the surface of these foils with stoichiometry Cu6Ni1 (for 1.3 to 7.8 bulk at.% Ni in the Cu/Ni(111) foil) was discovered by low energy electron diffraction (LEED). Complete large area monolayer graphene films are either single crystal or close to single crystal, and include folded regions that are essentially parallel and that were likely wrinkles that "fell over" to bind to the surface; these folds are separated by large, wrinkle-free regions. The folds occur due to the buildup of interfacial compressive stress (and its release) during cooling of the foils from 1075 °C to room temperature. The fold heights measured by atomic force microscopy (AFM) and scanning tunneling microscopy (STM) prove them to all be 3 layers thick, and scanning electron microscopy (SEM) imaging shows them to be around 10 to 300 nm wide and separated by roughly 20 µm. These folds are always essentially perpendicular to the steps in this Cu/Ni(111) substrate. Joining of well-aligned graphene islands (in growths that were terminated prior to full film coverage) was investigated with high magnification SEM and aberration-corrected high-resolution transmission electron microscopy (TEM) as well as AFM, STM, and optical microscopy. These methods show that many of the "join regions" have folds, and these arise from interfacial adhesion mechanics (they are due to the buildup of compressive stress during cool-down, but these folds are different than for the continuous graphene films-they occur due to "weak links" in terms of the interface mechanics). Such Cu/Ni(111) alloy foils are promising substrates for the large-scale synthesis of single-crystal graphene film.

10.
Inorg Chem ; 57(9): 5083-5088, 2018 May 07.
Artigo em Inglês | MEDLINE | ID: mdl-29697976

RESUMO

Bulk tellurium (Te) is composed of one-dimensional (1D) helical chains which have been considered to be coupled by van der Waals (vdW) interactions. However, on the basis of first-principles density functional theory calculations, we here propose a different bonding nature between neighboring chains: i.e., helical chains made of normal covalent bonds are connected together by coordinate covalent bonds. It is revealed that the lone pairs of electrons of Te atoms participate in forming coordinate covalent bonds between neighboring chains, where each Te atom behaves as both an electron donor to neighboring chains and an electron acceptor from neighboring chains. This ligand-metal-like bonding nature in bulk Te results in the same order of bulk moduli along the directions parallel and perpendicular to the chains, contrasting with the large anisotropy of bulk moduli in vdW crystals. We further find that the electron effective masses parallel and perpendicular to the chains are almost the same as each other, consistent with the observed nearly isotropic electrical resistivity. It is thus demonstrated that the normal/coordinate covalent bonds parallel/perpendicular to the chains in bulk Te lead to a minor anisotropy in structural and transport properties.

11.
Phys Chem Chem Phys ; 19(41): 28354-28359, 2017 Oct 25.
Artigo em Inglês | MEDLINE | ID: mdl-29034945

RESUMO

Manipulating magnetism of low-dimensional materials is of great importance for their practical applications. Here, using first-principles calculations, we report a systematic investigation of the magnetic properties of C-doped H saturated zigzag phosphorene nanoribbons (H-ZPNRs), which are rather different from those of 2D periodic systems due to the quantum size effect. First of all, we observed a greatly enhanced magnetic moment locating mainly on the C atom and also slightly on its surrounding P atoms. Our results also indicated a strong dependence of the magnetic moment of the C atom on its location, which decays from the edge to the center site of the nanoribbons with an odd-even oscillating behavior originating from Friedel oscillation in low-dimensional materials. As for the C atom on a specific location, its magnetic moment decreases gradually with increasing width of H-ZPNRs, degenerating to the 2D case. What is more, we found that both the magnitude and the oscillating behavior of the magnetic moment on the C atom can be tuned by the edge saturation atoms. In addition, the case of two C atoms co-doping H-ZPNRs was also studied, showing non-magnetic (NM), ferromagnetic (FM) and antiferromagnetic (AFM) states depending on the locations of the two C atoms. Our findings suggest a plausible route for manipulating magnetism of the sp element doped H-ZPNRs, which are expected to have potential applications in spintronics.

12.
Phys Rev Lett ; 119(10): 106101, 2017 Sep 08.
Artigo em Inglês | MEDLINE | ID: mdl-28949181

RESUMO

Contemporary science is witnessing a rapid expansion of the two-dimensional (2D) materials family, each member possessing intriguing emergent properties of fundamental and practical importance. Using the particle-swarm optimization method in combination with first-principles density functional theory calculations, here we predict a new category of 2D monolayers named tellurene, composed of the metalloid element Te, with stable 1T-MoS_{2}-like (α-Te), and metastable tetragonal (ß-Te) and 2H-MoS_{2}-like (γ-Te) structures. The underlying formation mechanism is inherently rooted in the multivalent nature of Te, with the central-layer Te behaving more metal-like (e.g., Mo), and the two outer layers more semiconductorlike (e.g., S). We also show that the α-Te phase can be spontaneously obtained from the magic thicknesses divisible by three layers truncated along the [001] direction of the trigonal structure of bulk Te, and both the α- and ß-Te phases possess electron and hole mobilities much higher than MoS_{2}. Furthermore, we present preliminary but convincing experimental evidence for the layering behavior of Te on HOPG substrates, and predict the importance of multivalency in the layering behavior of Se. These findings effectively extend the realm of 2D materials to group-VI elements.

13.
Nanoscale Res Lett ; 11(1): 77, 2016 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-26858159

RESUMO

We present first-principles density-functional calculations for the structural, electronic, and magnetic properties of substitutional 3d transition metal (TM) impurities in two-dimensional black and blue phosphorenes. We find that the magnetic properties of such substitutional impurities can be understood in terms of a simple model based on the Hund's rule. The TM-doped black phosphorenes with Ti, V, Cr, Mn, Fe, and Ni impurities show dilute magnetic semiconductor (DMS) properties while those with Sc and Co impurities show nonmagnetic properties. On the other hand, the TM-doped blue phosphorenes with V, Cr, Mn, and Fe impurities show DMS properties, with Ni impurity showing half-metal properties, whereas Sc- and Co-doped systems show nonmagnetic properties. We identify two different regimes depending on the occupation of the hybridized electronic states of TM and phosphorous atoms: (i) bonding states are completely empty or filled for Sc- and Co-doped black and blue phosphorenes, leading to nonmagnetic; (ii) non-bonding d states are partially occupied for Ti-, V-, Cr-, Mn-, Fe- and Ni-doped black and blue phosphorenes, giving rise to large and localized spin moments. These results provide a new route for the potential applications of dilute magnetic semiconductor and half-metal in spintronic devices by employing black and blue phosphorenes. PACS numbers: 73.22.-f, 75.50.Pp, 75.75. + a.

14.
Phys Chem Chem Phys ; 17(25): 16351-8, 2015 Jul 07.
Artigo em Inglês | MEDLINE | ID: mdl-26051654

RESUMO

Using first-principles density functional theory calculations, we investigate the geometries, electronic structures, and thermodynamic stabilities of substitutionally doped phosphorene sheets with group III, IV, V, and VI elements. We find that the electronic properties of phosphorene are drastically modified by the number of valence electrons in dopant atoms. The dopants with an even number of valence electrons enable the doped phosphorenes to have a metallic feature, while the dopants with an odd number of valence electrons retain a semiconducting feature. This even-odd oscillating behavior is attributed to the peculiar bonding characteristics of phosphorene and the strong hybridization of sp orbitals between dopants and phosphorene. Furthermore, the calculated formation energies of various substitutional dopants in phosphorene show that such doped systems can be thermodynamically stable. These results propose an intriguing route to tune the transport properties of electronic and photoelectronic devices based on phosphorene.

15.
ANZ J Surg ; 83(6): 472-6, 2013 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-23035901

RESUMO

BACKGROUND: The importance of basic surgical skills is entirely agreed among surgical educators. However, restricted by ethical issues, finance etc, the basic surgical skills training is increasingly challenged. Increasing cost gives an impetus to the development of cost-effective training models to meet the trainees' acquisition of basic surgical skills. In this situation, a cost-effective training framework was formed in our department and introduced here. METHODS: Each five students were assigned to a 'training unit'. The training was implemented weekly for 18 weeks. The framework consisted of an early, a transitional, an integrative stage and a surgical skills competition. Corresponding training modules were selected and assembled scientifically at each stage. The modules comprised campus intranet databases, sponge benchtop, nonliving animal tissue, local dissection specimens and simulating reality operations. The training outcomes used direct observation of procedural skills as an assessment tool. The training data of 50 trainees who were randomly selected in each year from 2006 to 2011 year, were retrospectively analysed. RESULTS: An excellent and good rate of the surgical skills is from 82 to 88%, but there is no significant difference among 6 years (P > 0.05). The skills scores of the contestants are markedly higher than those of non-contestants (P < 0.05). The average training cost per trainee is about $21.85-34.08. CONCLUSION: The present training framework is reliable, feasible, repeatable and cost-effective. The skills competition can promote to improve the surgical skills level of trainees.


Assuntos
Competência Clínica , Educação Médica Continuada/economia , Avaliação Educacional/economia , Internato e Residência , Especialidades Cirúrgicas/educação , China , Simulação por Computador , Análise Custo-Benefício , Feminino , Humanos , Masculino , Estudos Retrospectivos , Especialidades Cirúrgicas/economia
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