Your browser doesn't support javascript.
loading
Mostrar: 20 | 50 | 100
Resultados 1 - 20 de 114
Filtrar
Mais filtros

Bases de dados
Tipo de documento
Intervalo de ano de publicação
1.
Proc Natl Acad Sci U S A ; 120(43): e2219491120, 2023 Oct 24.
Artigo em Inglês | MEDLINE | ID: mdl-37851678

RESUMO

In conventional superconductors, electron-phonon coupling plays a dominant role in generating superconductivity. In high-temperature cuprate superconductors, the existence of electron coupling with phonons and other boson modes and its role in producing high-temperature superconductivity remain unclear. The evidence of electron-boson coupling mainly comes from angle-resolved photoemission (ARPES) observations of [Formula: see text]70-meV nodal dispersion kink and [Formula: see text]40-meV antinodal kink. However, the reported results are sporadic and the nature of the involved bosons is still under debate. Here we report findings of ubiquitous two coexisting electron-mode couplings in cuprate superconductors. By taking ultrahigh-resolution laser-based ARPES measurements, we found that the electrons are coupled simultaneously with two sharp modes at [Formula: see text]70meV and [Formula: see text]40meV in different superconductors with different dopings, over the entire momentum space and at different temperatures above and below the superconducting transition temperature. These observations favor phonons as the origin of the modes coupled with electrons and the observed electron-mode couplings are unusual because the associated energy scales do not exhibit an obvious energy shift across the superconducting transition. We further find that the well-known "peak-dip-hump" structure, which has long been considered a hallmark of superconductivity, is also omnipresent and consists of "peak-double dip-double hump" finer structures that originate from electron coupling with two sharp modes. These results provide a unified picture for the [Formula: see text]70-meV and [Formula: see text]40-meV energy scales and their evolutions with momentum, doping and temperature. They provide key information to understand the origin of these energy scales and their role in generating anomalous normal state and high-temperature superconductivity.

2.
Biomacromolecules ; 24(2): 640-651, 2023 02 13.
Artigo em Inglês | MEDLINE | ID: mdl-36689602

RESUMO

Negatively surface-charged sulfate cellulose nanocrystals (CNCs) are always slowly self-assembled into left-handed cholesteric mesophases. In this work, macroscopic spiral patterns induced by counterclockwise vortex flowing or chiral doping were investigated. Results show that iridescent patterns of the arithmetic spiral, rose spiral, or latitude ripples were generated under the vortex rotation, indicating a severe microphase separation of CNCs. Moreover, the spiral pattern and rotational symmetry were highly correlated to the twisting and flowability of CNCs as well as chiral dopants. Alternatively, the cholesteric pitch and maximum reflective wavelength (λmax) of CNCs were strongly increased by sinistral dopants other than the dextral ones, indicating an enhanced torsion of left-handed CNC mesophases by the dextral dopants. In addition, macroscopic spiral patterns distinctly existed in dextrally doped CNCs owing to a synergistic chiral enhancement. Therefore, the mechanochiral or chemical chiral transition from microscopic twisting to macroscopic spiral provides a potential inspiration for chiral self-organization of biological macromolecules.


Assuntos
Celulose , Nanopartículas , Celulose/química , Nanopartículas/química
3.
Proc Natl Acad Sci U S A ; 117(12): 6362-6369, 2020 Mar 24.
Artigo em Inglês | MEDLINE | ID: mdl-32161125

RESUMO

Shrinking the size of a bulk metal into nanoscale leads to the discreteness of electronic energy levels, the so-called Kubo gap δ. Renormalization of the electronic properties with a tunable and size-dependent δ renders fascinating photon emission and electron tunneling. In contrast with usual three-dimensional (3D) metal clusters, here we demonstrate that Kubo gap δ can be achieved with a two-dimensional (2D) metallic transition metal dichalcogenide (i.e., 1T'-phase MoTe2) nanocluster embedded in a semiconducting polymorph (i.e., 1H-phase MoTe2). Such a 1T'/1H MoTe2 nanodomain resembles a 3D metallic droplet squeezed in a 2D space which shows a strong polarization catastrophe while simultaneously maintaining its bond integrity, which is absent in traditional δ-gapped 3D clusters. The weak screening of the host 2D MoTe2 leads to photon emission of such pseudometallic systems and a ballistic injection of carriers in the 1T'/1H/1T' homojunctions which may find applications in sensors and 2D reconfigurable devices.

4.
Proc Natl Acad Sci U S A ; 117(25): 13929-13936, 2020 Jun 23.
Artigo em Inglês | MEDLINE | ID: mdl-32522877

RESUMO

Local impurity states arising from atomic vacancies in two-dimensional (2D) nanosheets are predicted to have a profound effect on charge transport due to resonant scattering and can be used to manipulate thermoelectric properties. However, the effects of these impurities are often masked by external fluctuations and turbostratic interfaces; therefore, it is challenging to probe the correlation between vacancy impurities and thermoelectric parameters experimentally. In this work, we demonstrate that n-type molybdenum disulfide (MoS2) supported on hexagonal boron nitride (h-BN) substrate reveals a large anomalous positive Seebeck coefficient with strong band hybridization. The presence of vacancies on MoS2 with a large conduction subband splitting of 50.0 ± 5.0 meV may contribute to Kondo insulator-like properties. Furthermore, by tuning the chemical potential, the thermoelectric power factor can be enhanced by up to two orders of magnitude to 50 mW m-1 K-2 Our work shows that defect engineering in 2D materials provides an effective strategy for controlling band structure and tuning thermoelectric transport.

5.
Phys Rev Lett ; 128(17): 176801, 2022 Apr 29.
Artigo em Inglês | MEDLINE | ID: mdl-35570438

RESUMO

We report that monoelemental black phosphorus presents a new electronic self-passivation scheme of single vacancy (SV). By means of low-temperature scanning tunneling microscopy and noncontact atomic force microscopy, we demonstrate that the local reconstruction and ionization of SV into negatively charged SV^{-} leads to the passivation of dangling bonds and, thus, the quenching of in-gap states, which can be achieved by mild thermal annealing or STM tip manipulation. SV exhibits a strong and symmetric Friedel oscillation (FO) pattern, while SV^{-} shows an asymmetric FO pattern with local perturbation amplitude reduced by one order of magnitude and a faster decay rate. The enhanced passivation by forming SV^{-} can be attributed to its weak dipolelike perturbation, consistent with density-functional theory numerical calculations. Therefore, self-passivated SV^{-} is electrically benign and acts as a much weaker scattering center, which may hold the key to further enhance the charge mobility of black phosphorus and its analogs.

6.
Nanotechnology ; 33(27)2022 Apr 20.
Artigo em Inglês | MEDLINE | ID: mdl-35349994

RESUMO

The thermal conductivities of pristine and defective single-layer tungsten diselenide (WSe2) are investigated by using equilibrium molecular dynamics method. The thermal conductivity of WSe2increases dramatically with size below a characteristic of ~5 nm and levels off for broader samples and reaches a constant value of ~2 W/mK. By introducing atomic vacancies, we discovered that the thermal conductivity of WSe2is significantly reduced. In particular, the W vacancy has a greater impact on thermal conductivity reduction than Se vacancies: the thermal conductivity of pristine WSe2is reduced by ~60% and ~70% with the adding of ~1% of Se and W vacancies, respectively. The reduction of thermal conductivity is found to be related to the decrease of mean free path (MFP) of phonons in the defective WSe2. The MFP of WSe2decreases from ~4.2 nm for perfect WSe2to ~2.2 nm with the addition of 0.9% Se vacancies. More sophisticated types of point defects, such as vacancy clusters and anti-site defects, are explored in addition to single vacancies and are found to dramatically renormalize the phonons. The reconstruction of the bonds leads to localized phonons in the forbidden gap in the phonon density of states which leads to a drop in thermal conduction. This work demonstrates the influence of different defects on the thermal conductivity of single-layer WSe2, providing insight into the process of defect-induced phonon transport as well as ways to improve heat dissipation in WSe2-based electronic devices.

7.
Nanotechnology ; 33(26)2022 Apr 07.
Artigo em Inglês | MEDLINE | ID: mdl-35316792

RESUMO

By utilizing the tight-binding method, the electronic spectrum and states distribution of square Janus monolayer black arsenic phosphorus (b-AsP) quantum dots (QDs) in the presence of a perpendicular magnetic field are explored. Strong in-gap states of b-AsP QDs, whose probability densities are distributed on the armchair boundary (armchair edge states) appear in the energy gap of host perfect two-dimensional b-AsP. The corresponding energy levels of the armchair edge states can degenerate to the Landu energy levels upon applying a perpendicular magnetic field. When an in-plane polarized light is introduced, due to the presence of armchair edge states, the edge-to-edge transitions are mainly induced from the armchair edge (hole) states to zigzag edge (electron) states. The optical absorption undergoes blue shift as a function of the magnetic field. Our work suggests tunable optical properties via modulating the armchair edge states of a b-AsP QD and provides a theoretical basis for the design of b-AsP-based optoelectronic devices.

8.
Small ; 17(43): e2100246, 2021 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-33818015

RESUMO

The introduction of patterned sapphire substrates (PSS) has been regarded as an effective method to improve the photoelectric performance of 2D layered materials in recent years. Molybdenum disulfide (MoS2 ), an intriguing transition metal 2D materials with splendid photoresponse owing to a direct-indirect bandgap transition at monolayer, shows promising optoelectronics applications. Here, a large-scale, continuous multilayer MoS2 film is prepared on a SiO2 /Si substrate and transferred to flat sapphire substrate and PSS, respectively. An enhanced dynamic distribution of local electric field and concentrated photon excitons across the interface between MoS2 and patterned sapphire substrates are revealed by the finite-difference time-domain simulation. The photoelectric performance of the MoS2 /PSS photodetector is improved under the three lasers of 365, 460, and 660 nm. Under the 365 nm laser, the photocurrent increased by 3 times, noise equivalent power (NEP) decreases to 1.77 × 10-14 W/Hz1/2 and specific detectivity (D*) increases to 1.2 × 1010 Jones. Meanwhile, the responsivity is increased by 7 times at 460 nm, and the response time of the MoS2 /PSS photodetector is also shortened under three wavelengths. The work demonstrates an effective method for enhancing the optical properties of photodetectors and enabling simultaneous detection of broad-spectrum emissions.

9.
Nat Mater ; 19(2): 182-188, 2020 02.
Artigo em Inglês | MEDLINE | ID: mdl-31844282

RESUMO

Stretchable optoelectronic materials are essential for applications in wearable electronics, human-machine interfaces and soft robots. However, intrinsically stretchable optoelectronic devices such as light-emitting capacitors usually require high driving alternating voltages and excitation frequencies to achieve sufficient luminance in ambient lighting conditions. Here, we present a healable, low-field illuminating optoelectronic stretchable (HELIOS) device by introducing a transparent, high permittivity polymeric dielectric material. The HELIOS device turns on at an alternating voltage of 23 V and a frequency below 1 kHz, safe operating conditions for human-machine interactions. We achieved a brightness of 1,460 cd m-2 at 2.5 V µm-1 with stable illumination demonstrated up to a maximum of 800% strain. The materials also self-healed mechanically and electronically from punctures or when severed. We further demonstrate various HELIOS light-emitting capacitor devices in environment sensing using optical feedback. Moreover, our devices can be powered wirelessly, potentially enabling applications for untethered damage-resilient soft robots.

10.
Nanotechnology ; 32(13): 135402, 2021 Jan 07.
Artigo em Inglês | MEDLINE | ID: mdl-33410419

RESUMO

Understanding the physical processes involved in interfacial heat transfer is critical for the interpretation of thermometric measurements and the optimization of heat dissipation in nanoelectronic devices that are based on transition metal dichalcogenide (TMD) semiconductors. We model the phononic and electronic contributions to the thermal boundary conductance (TBC) variability for the MoS2-SiO2 and WS2-SiO2 interface. A phenomenological theory to model diffuse phonon transport at disordered interfaces is introduced and yields G = 13.5 and 12.4 MW K-1 m-2 at 300 K for the MoS2-SiO2 and WS2-SiO2 interface, respectively. We compare its predictions to those of the coherent phonon model and find that the former fits the MoS2-SiO2 data from experiments and simulations significantly better. Our analysis suggests that heat dissipation at the TMD-SiO2 interface is dominated by phonons scattered diffusely by the rough interface although the electronic TBC contribution can be significant even at low electron densities (n ≤ 1012 cm-2) and may explain some of the variation in the experimental TBC data from the literature. The physical insights from our study can be useful for the development of thermally aware designs in TMD-based nanoelectronics.

11.
Nanotechnology ; 2020 Dec 09.
Artigo em Inglês | MEDLINE | ID: mdl-33296879

RESUMO

Understanding the physical processes involved in interfacial heat transfer is critical for the interpretation of thermometric measurements and the optimization of heat dissipation in nanoelectronic devices that are based on transition metal dichalcogenide (TMD) semiconductors. We model the phononic and electronic contributions to the thermal boundary conductance (TBC) variability for the MoS2-SiO2and WS2-SiO2interface. A phenomenological theory to model diffuse phonon transport at disordered interfaces is introduced and yieldsG= 13.5 and 12.4 MW/K/m2at 300 K for the MoS2-SiO2and WS2-SiO2interface, respectively. We compare its predictions to those of the coherent phonon model and find that the former fits the MoS2-SiO2data from experiments and simulations significantly better. Our analysis suggests that heat dissipation at the TMD-SiO2interface is dominated by phonons scattered diffusely by the rough interface although the electronic TBC contribution can be significant even at low electron densities (n= 1012cm-2) and may explain some of the variation in the experimental TBC data from the literature. The physical insights from our study can be useful for the development of thermally aware designs in TMD-based nanoelectronics.

12.
BMC Oral Health ; 20(1): 70, 2020 03 13.
Artigo em Inglês | MEDLINE | ID: mdl-32164665

RESUMO

BACKGROUND: The ability of a loop to generate a certain moment/force ratio (M/F ratio) can achieve the desired tooth movement in orthodontics. The present study aimed to investigate the effects of elastic modulus, cross-sectional dimensions, loop configuration geometry dimensions, and activation force on the generated M/F ratio of vertical, L- and T-loops. METHODS: A total of 120 three-dimensional loop models were constructed with the Solidworks 2017 software and used for simulating loop activation with the Abaqus 6.14 software. Six vertical loop variations, 9 L-loop variations, and 9 T-loop variations were evaluated. In each group, only one parameter was variable [loop height, ring radius, leg length, leg step distance, legs distance, upper length, different archwire materials (elastic modulus), cross-sectional dimension, and activation force]. RESULTS: The simulation results of the displacement and von Mises stress of each loop were investigated. The maximum displacement in the height direction was recorded to calculate the M/F ratio. The quantitative change trends in the generated M/F ratio of the loops with respect to various variables were established. CONCLUSIONS: Increasing the loop height can increase the M/F ratio of the loop. This increasing trend is, especially, much more significant in T-loops compared with vertical loops and L-loops. In vertical loops, increasing the ring radius is much more effective than increasing the loop height to increase the M/F ratio of the loop. Compared with SS, TMA archwire loops can generate a higher M/F ratio due to its lower elastic modulus. Loops with a small cross-sectional area and high activation force can generate a high M/F ratio. The introduction of a leg step to loops does not increase the M/F ratio of loops.


Assuntos
Análise de Elementos Finitos , Desenho de Aparelho Ortodôntico , Fios Ortodônticos/estatística & dados numéricos , Técnicas de Movimentação Dentária/instrumentação , Análise do Estresse Dentário , Humanos , Estresse Mecânico
13.
Small ; 15(21): e1900131, 2019 May.
Artigo em Inglês | MEDLINE | ID: mdl-31018041

RESUMO

Transition metal dichalcogenides exhibit several different phases (e.g., semiconducting 2H, metallic 1T, 1T') arising from the collective and sluggish atomic displacements rooted in the charge-lattice interaction. The coexistence of multiphase in a single sheet enables ubiquitous heterophase and inhomogeneous charge distribution. Herein, by combining the first-principles calculations and experimental investigations, a strong charge transfer ability at the heterophase boundary of molybdenum disulfide (MoS2 ) assembled together with graphene is reported. By modulating the phase composition in MoS2 , the performance of the nanohybrid for energy storage can be modulated, whereby remarkable gravimetric and volumetric capacitances of 272 F g-1 and 685 F cm-3 are demonstrated. As a proof of concept for energy application, a flexible solid-state asymmetric supercapacitor is constructed with the MoS2 -graphene heterolayers, which shows superb energy and power densities (46.3 mWh cm-3 and 3.013 W cm-3 , respectively). The present work demonstrates a new pathway for efficient charge flow and application in energy storage by engineering the phase boundary and interface in 2D materials of transition metal dichalcogenides.

14.
J Am Chem Soc ; 140(45): 15252-15260, 2018 Nov 14.
Artigo em Inglês | MEDLINE | ID: mdl-30339004

RESUMO

Due to growing environmental concerns on the toxicity of lead-based piezoelectric materials, lead-free alternatives are urgently required but so far have not been able to reach competitive performance. Here we employ a novel phase-boundary engineering strategy utilizing the multiphase convergence, which induces a broad structural flexibility in a wide phase-boundary zone with contiguous polymorphic phase transitions. We achieve an ultrahigh piezoelectric constant ( d33) of 700 ± 30 pC/N in BaTiO3-based ceramics, maintaining >600 pC/N over a wide composition range. Atomic resolution polarization mapping by Z-contrast imaging reveals the coexistence of three ferroelectric phases (T + O + R) at the nanoscale with nanoscale polarization rotation between them. Theoretical simulations confirm greatly reduced energy barriers facilitating polarization rotation. Our lead-free material exceeds the performance of the majority of lead-based systems (including the benchmark PZT-5H) in the temperature range of 10-40 °C, making it suitable as a lead-free replacement in practical applications. This work offers a new paradigm for designing lead-free functional materials with superior electromechanical properties.

15.
Chemistry ; 24(58): 15589-15595, 2018 Oct 17.
Artigo em Inglês | MEDLINE | ID: mdl-29959855

RESUMO

For the last decades, the chemical reduction of Au3+ to Au0 has been widely employed to produce various gold nanostructures. In comparison with the fast reduction, the slow reduction is systematically investigated in this research to provide more insights to reveal intermediary process and further disclose the underlying mechanism for growing gold nanostructures by using a series of simple ligands with aldehyde groups as weak reducing agents. The different binding energies of ligands to Aun+ (n=3, 1 and 0) exhibit variable binding affinities in starting, intermediate, and final gold species. For example, formic acid has much stronger binding affinity to Au+ than Au3+ , and thus Au+ intermediate is able to be stabilized/captured during slow reduction of Au3+ . Upon the disproportionation of Au+ to Au0 and Au3+ , formic acid has much stronger binding affinity to the newly formed Au0 than other ligands for the controlled formation of gold nanostructures. Meanwhile, the adsorption of ligands causes substantially decreased surface energies on different gold planes. There are much higher energies on {110} planes compared to the other two {111} and {100} planes with certain ratios in these energies, leading to morphological growth of gold nanosheets. In this paper, we experimentally demonstrate anisotropic growth of gold nanosheets by using various ligands with weak reducing and appropriate coordination capabilities, and further provide insights to understand their morphological growth mechanism behind. This synthetic strategy is successfully extended to prepare silver, palladium, and platinum nanoplates.

16.
Phys Chem Chem Phys ; 20(18): 12939-12947, 2018 May 09.
Artigo em Inglês | MEDLINE | ID: mdl-29701216

RESUMO

By using first-principles calculations, we investigated the effects of graphene/boron nitride (BN) encapsulation, and surface functionalization by metallic elements (K, Al, Mg and typical transition metals) and molecules (tetracyanoquinodimethane (TCNQ) and tetracyanoethylene (TCNE)) on the electronic properties of layered indium selenide (InSe). It was found that an opposite trend of charge transfer is possible for graphene (donor) and BN (acceptor), which is dramatically different from phosphorene where both graphene and BN play the same role (donor). For an InSe/BN heterostructure, a change of the interlayer distance due to out-of-plane compression can effectively modulate the band gap. Strong acceptor abilities to InSe were found for the TCNE and TCNQ molecules. For K, Al and Mg-doped monolayer InSe, charge transfer from the K and Al atoms to the InSe surface was observed, causing an n-type conduction of InSe, while p-type conduction of InSe was observed in the case of Mg-doping. The atomically thin structure of InSe enables the possible observation and utilization of the dopant-induced vertical electric field across the interface. A proper adoption of the n- or p-type dopants allows for the modulation of the work function, the Fermi level pinning, the band bending, and the photo-adsorbing efficiency near the InSe surface/interface. Investigation of the adsorption of transition metal atoms on InSe showed that Ti-, V-, Cr-, Mn-, and Co-adsorbed InSe are spin-polarized, while Ni-, Cu-, Pd-, Ag- and Au-adsorbed InSe are non-spin-polarized. Our results shed light on the possible ways to protect InSe structures and modulate their electronic properties for nanoelectronics and electrochemical device applications.

17.
Angew Chem Int Ed Engl ; 57(35): 11177-11181, 2018 08 27.
Artigo em Inglês | MEDLINE | ID: mdl-29964347

RESUMO

Hydrophobic reduced graphene oxides (rGOs) were generated in agarose hydrogel beads (AgarBs) by NaBH4 reduction of graphene oxides (GOs) initially loaded in the AgarBs. The resulting rGO-loaded AgarBs were able to effectively adsorb organic compounds in water as a result of the attractive hydrophobic force between the rGOs in the AgarBs and the organic compounds dissolved in aqueous media. The adsorption capacity of the rGOs was fairly high even toward reasonably water-soluble organic compounds such as rhodamine B (321.7 mg g-1 ) and aspirin (196.4 mg g-1 ). Yet they exhibited salinity-enhanced adsorption capacity and preferential adsorption of organic compounds with lower solubility in water. Such peculiar adsorption behavior highlights the exciting possibility for adopting an adsorption strategy, driven by hydrophobic forces, in practical wastewater treatment processes.

18.
Small ; 13(5)2017 02.
Artigo em Inglês | MEDLINE | ID: mdl-27862963

RESUMO

High-performance black phosphorus n-type field-effect transistors are realized using Al adatoms as effective electron donors, which achieved a record high mobility of >1495 cm2 V-1 s-1 at 260 K. The electron mobility is corroborated to charged-impurity scattering at low temperature, whilst metallic-like conduction is observed at high gate bias with increased carrier density due to enhanced electron-phonon interactions at high temperature.

19.
J Headache Pain ; 18(1): 42, 2017 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-28389966

RESUMO

BACKGROUND: Migraine has been recognized as one of the leading causes of disability in the 2013 Global Burden of Disease Study and seriously affects the quality of patients' life, current treatment options are not ideal. Monoclonal antibodies to calcitonin gene-related peptide and its receptor (CGRP-mAbs) appear more promising for migraine because of considerably better effect and safety profiles. The objective of this study is to systematically assess the clinical efficacy and safety of CGRP-mAbs for migraine therapy. METHODS: A systematic literature search in PubMed, Cochrane Library and Baidu Scholar was performed to identify randomized controlled trials (RCTs), which compared the effect and safety of CGRP-mAbs with placebo on migraine. Regarding the efficacy, the reduction of monthly migraine days from baseline to weeks 1-4, 5-8, and 9-12; responder rates were extracted as the outcome measures of the effects of CGRP-mAbs. Regarding the safety, total adverse events, the main adverse events, and other adverse events were evaluated. RESULTS: We found significant reduction of monthly migraine days in CGRP-mAbs vs. placebo (weeks 1-4: SMD -0.49, 95% CI -0.61 to -0.36; weeks 5-8: SMD -0.43, 95% CI -0.56 to -0.30; weeks 9-12: SMD -0.37, 95% CI -0.49 to -0.24). 50% and 75% responder rates (OR 2.59, 95% CI 1.99 to 3.37; and OR 2.91, 95% CI 2.06 to 4.10) were significantly increased compared with placebo. There was no significant difference in total adverse events (OR 1.17, 95% CI 0.91 to 1.51), and the main adverse events including upper respiratory tract infection (OR 1.44, 95% CI 0.82 to 2.55), nasopharyngitis (OR 0.59, 95% CI 0.30 to 1.16), nausea (OR 0.61, 95% CI 0.29 to 1.32), injection-site pain (OR 1.73, 95% CI 0.95 to 3.16) and back pain (OR 0.97, 95% CI 0.49 to 1.90) were not obviously changed compared with placebo control, but the results showed significant increase of dizziness in CGRP-mAbs vs. placebo (OR 3.22, 95% CI 1.09 to 9.45). CONCLUSIONS: This meta-analysis suggests that CGRP-mAbs are effective in anti-migraine therapy with few adverse reactions, but more and larger sample-size RCTs are required to verify the current findings.


Assuntos
Anticorpos Monoclonais/uso terapêutico , Peptídeo Relacionado com Gene de Calcitonina , Transtornos de Enxaqueca/tratamento farmacológico , Receptores de Peptídeo Relacionado com o Gene de Calcitonina , Anticorpos Monoclonais/efeitos adversos , Anticorpos Monoclonais/metabolismo , Peptídeo Relacionado com Gene de Calcitonina/metabolismo , Ensaios Clínicos como Assunto/métodos , Tontura/induzido quimicamente , Humanos , Transtornos de Enxaqueca/metabolismo , Náusea/induzido quimicamente , Receptores de Peptídeo Relacionado com o Gene de Calcitonina/metabolismo , Resultado do Tratamento
20.
J Am Chem Soc ; 138(32): 10199-206, 2016 08 17.
Artigo em Inglês | MEDLINE | ID: mdl-27448591

RESUMO

Using detailed first-principles calculations, we investigate the hopping rate of vacancies in phosphorene, an emerging elemental 2D material besides graphene. Our work predicts that a direct observation of these monovacancies (MVs), showing a highly mobile and anisotropic motion, is possible only at low temperatures around 70 K or below where the thermal activity is greatly suppressed. At room temperature, the motion of a MV is 16 orders faster than that in graphene, because of the low diffusion barrier of 0.3 eV. Built-in strain associated with the vacancies extends far along the zigzag direction while attenuating rapidly along the armchair direction. We reveal new features of the motion of divacancies (DVs) in phosphorene via multiple dissociation-recombination processes of vacancies owing to a small energy cost of ∼1.05 eV for the splitting of a DV into two MVs. Furthermore, we find that uniaxial tensile strain along the zigzag direction can promote the motion of MVs, while the tensile strain along the armchair direction has the opposite effect. These itinerant features of vacancies, rooted in the unique puckering structure facilitating bond reorganization, enable phosphorene to be a bright new opportunity to broaden the knowledge of the evolution of vacancies, and a proper control of the exceedingly active and anisotropic movement of the vacancies should be critical for applications based on phosphorene.

SELEÇÃO DE REFERÊNCIAS
DETALHE DA PESQUISA