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2.
J Chem Phys ; 158(13): 134711, 2023 Apr 07.
Article in English | MEDLINE | ID: mdl-37031159

ABSTRACT

As an important phase-change material, GeTe has many high-pressure phases as well, but its phase transitions under pressure are still lack of clarity. It is challenging to identify high-pressure GeTe crystal structures owing to the phase coexistence in a wide pressure range and the reversibility of phase transitions. Hence, first-principles calculations are required to provide further information in addition to limited experimental characterizations. In this work, a new orthorhombic Cmca GeTe high-pressure phase has been predicted via the CALYPSO method as the most energetically favorable phase in the pressure range between ∼30 and ∼38.5 GPa, which would update the GeTe high-pressure phase transition sequence. The crystal structure of the Cmca phase is composed of alternate stacking puckered layers of Ge six-membered rings and Te four-membered rings along the b direction. The high density of states near the Fermi level and delocalization of electrons from the two-dimensional electron localization function indicate a strong metallic property of the Cmca phase. Electron-phonon coupling calculations indicate that the Cmca phase is superconductive below ∼4.2 K at 35 GPa. The simulated x-ray diffraction pattern of the Cmca phase implies that this phase might coexist with the Pnma-boat phase under high pressure. These results offer further understanding on the high-pressure structural evolution and physical properties in GeTe and other IV-VI semiconductors.

3.
Adv Sci (Weinh) ; 9(30): e2203622, 2022 Oct.
Article in English | MEDLINE | ID: mdl-36002336

ABSTRACT

Carbon nanodots (CDs) have emerged as an alternative option for traditional nanocrystals due to their excellent optical properties and low toxicity. Nevertheless, high emission efficiency is a long-lasting pursuit for CDs. Herein, CDs with near-unity emission efficiency are prepared via atomic condensation of doped pyrrolic nitrogen, which can highly localize the excited states thus lead to the formation of bound excitons and the symmetry break of the π-electron conjugation. The short radiative lifetimes (<8 ns) and diffusion lengths (<50 nm) of the CDs imply that excitons can be efficiently localized by radiative recombination centers for a defect-insensitive emission of CDs. By incorporating the CDs into polystyrene, flexible light-converting films with a high solid-state quantum efficiency of 84% and good resistance to water, heating, and UV light are obtained. With the CD-polymer films as light conversion layers, CD-based white light-emitting diodes (WLEDs) with a luminous efficiency of 140 lm W-1 and a flat-panel illumination system with lighting sizes of more than 100 cm2 are achieved, matching state-of-the-art nanocrystal-based LEDs. These results pave the way toward carbon-based luminescent materials for solid-state lighting technology.

4.
J Colloid Interface Sci ; 614: 267-276, 2022 May 15.
Article in English | MEDLINE | ID: mdl-35101674

ABSTRACT

The stacking of Molybdenum Diselenide (MoSe2) nanomaterials as well as its poor intrinsic conductivity lead to sluggish water dissociation kinetics, which limit the performance of the alkaline hydrogen evolution reaction (HER). Herein, we constructed Nickel Hydroxide Ni(OH)2-MoSe2 heterostructures directly on 3D self-supporting carbon cloth (CC) substrate via a simple hydrothermal and the subsequent chemical bath deposition process, then systemically studied the effect of the Ni(OH)2 deposition time on the HER performance. The synergistic effect between Ni(OH)2 and MoSe2 in the Ni(OH)2-MoSe2 heterostructures optimizes the poor conductivity and Gibbs free energy for water adsorption, thus improving the water dissociation kinetics and giving rise to fast electron transfer in the HER process. The Ni(OH)2-MoSe2/CC constructed in this way with a Ni(OH)2 deposition times of 30 min performs good catalytic activities with a low overpotential of 130 mV at -10 mA cm-2, a low Tafel slope of 78.2 mV dec-1 and good stability. Our results suggest that interface engineering combining with conductive substrate are conducive to enhance alkaline HER activity of MoSe2 and other similar transition metal dichalcogenides.

5.
ACS Appl Mater Interfaces ; 12(7): 8271-8279, 2020 Feb 19.
Article in English | MEDLINE | ID: mdl-31990526

ABSTRACT

Cu3SbS4-based materials composed of nontoxic, low-cost, and earth-abundant elements potentially exhibit favorable thermoelectric performance. However, some key transport parameters and thermal stability have not been reported. In this work, the effects of Bi and Sn co-doping on thermoelectric properties and the thermal stability of Cu3SbS4 were studied by experiment and theoretical validation. Bi and Sn doping can effectively tune the electrical properties and the electronic band structure. The Bi and Sn doping leads to an increased carrier concentration from 6.4 × 1017 to 7.4 × 1020 cm-3 and a decreased optical band gap from 0.85 to 0.73 eV. The effective mass was increased from ∼3.0 me for Bi-doped samples to ∼4.0 me for Bi and Sn co-doped samples. An enhanced power factor of 1398 µW m-1 K-2 at 623 K was obtained for Cu3Sb1-x-yBixSnyS4 (x = 0.06, y = 0.09). The measurements of elastic properties exhibited a large Grüneisen parameter (γ ∼2) for Cu3SbS4-based materials. Finally, a maximum zT of 0.76 ± 0.02 at 623 K was achieved for Cu3Sb1-x-yBixSnyS4 (x = 0.06, y = 0.05) sample. In addition, Cu3SbS4 materials possess excellent thermal stability after thermal treatment in vacuum at 573 K for totally 500 h and dozens of heating-cooling thermal cycles (300-623-300 K). It indicates that Cu3SbS4 is a robust alternative for Te-free thermoelectric materials at an intermediate temperature range. This work provides feasible guidance to survey the thermal stability of chalcogenides.

6.
Front Chem ; 6: 555, 2018.
Article in English | MEDLINE | ID: mdl-30519556

ABSTRACT

A flexible all-solid-state supercapacitor is fabricated by building a layer of porous and conductive nanonetwork on the surface of KCu7S4 nanowires supported on the carbon fiber fabric, where the porous and conductive nanonetwork is assembled by graphite nanoparticles. This porous graphite layer plays a key role in providing ion diffusion channels to access the KCu7S4 through the pores for electrochemical reactions and forming electron transport pathways from the graphite network to the electronic collector of the carbon fiber fabric. This flexible supercapacitor exhibits excellent electrochemical performance with high specific capacitance of 408 F g-1 at a current density of 0.5 A g-1 and high energy density of 36 Wh kg-1 at a power density of 201 W kg-1. Moreover, it is cost-effective, easy to scale up and environmentally friendly with high flexibility. Our investigation demonstrates that such a porous and conductive nanonetwork could be used to improve the charge storage efficiency for a wide range of electrode materials.

7.
J Virol ; 90(21): 9806-9825, 2016 Nov 01.
Article in English | MEDLINE | ID: mdl-27558420

ABSTRACT

H9N2 avian influenza virus (AIV) has an extended host range, but the molecular basis underlying H9N2 AIV transmission to mammals remains unclear. We isolated more than 900 H9N2 AIVs in our 3-year surveillance in live bird markets in China from 2009 to 2012. Thirty-seven representative isolates were selected for further detailed characterization. These isolates were categorized into 8 genotypes (B64 to B71) and formed a distinct antigenic subgroup. Three isolates belonging to genotype B69, which is a predominant genotype circulating in China, replicated efficiently in mice, while the viruses tested in parallel in other genotypes replicated poorly, although they, like the three B69 isolates, have a leucine at position 226 in the hemagglutinin (HA) receptor binding site, which is critical for binding human type sialic acid receptors. Further molecular and single mutation analysis revealed that a valine (V) residue at position 190 in HA is responsible for efficient replication of these H9N2 viruses in mice. The 190V in HA does not affect virus receptor binding specificity but enhances binding affinity to human cells and lung tissues from mouse and humans. All these data indicate that the 190V in HA is one of the important determinants for H9N2 AIVs to cross the species barrier to infect mammals despite multiple genes conferring adaptation and replication of H9N2 viruses in mammals. Our findings provide novel insights on understanding host range expansion of H9N2 AIVs. IMPORTANCE: Influenza virus hemagglutinin (HA) is responsible for binding to host cell receptors and therefore influences the viral host range and pathogenicity in different species. We showed that the H9N2 avian influenza viruses harboring 190V in the HA exhibit enhanced virus replication in mice. Further studies demonstrate that 190V in the HA does not change virus receptor binding specificity but enhances virus binding affinity of the H9N2 virus to human cells and attachment to lung tissues from humans and mouse. Our findings suggest that more attention should be given to the H9N2 AIVs with HA-190V during surveillance due to their potential threat to mammals, including humans.


Subject(s)
Hemagglutinin Glycoproteins, Influenza Virus/genetics , Hemagglutinin Glycoproteins, Influenza Virus/metabolism , Influenza A Virus, H9N2 Subtype/genetics , Receptors, Cell Surface/metabolism , Virus Replication/genetics , A549 Cells , Animals , Birds , Cell Line, Tumor , DNA Replication/genetics , Humans , Influenza in Birds/metabolism , Influenza in Birds/virology , Influenza, Human/metabolism , Influenza, Human/virology , Lung/metabolism , Lung/virology , Mice , Mice, Inbred BALB C , Mutation , Orthomyxoviridae Infections/metabolism , Orthomyxoviridae Infections/virology , Phylogeny , Virus Attachment
8.
Virol J ; 12: 143, 2015 Sep 17.
Article in English | MEDLINE | ID: mdl-26377565

ABSTRACT

BACKGROUND: Wild ducks play an important role in the evolution of avian influenza viruses (AIVs). Domestic ducks in China are known to carry and spread H9N2 AIVs that are thought to have contributed internal genes for the recent outbreak of zoonotic H7N9 virus. In order to protect animal and public health, an effective vaccine is urgently needed to block and prevent the spread of H9N2 virus in ducks. We developed an inactivated H9N2 vaccine (with adjuvant Montanide ISA 70VG) based on an endemic H9N2 AIV and evaluated this vaccine in ducks. FINDINGS: The results showed that the inactivated H9N2 vaccine was able to induce a strong and fast humoral immune response in vaccinated ducks. The hemagglutination inhibition titer in the sera increased fast, and reached its peak of 12.3 log2 at 5 weeks post-vaccination in immunized birds and remained at a high level for at least 37 weeks post-vaccination. Moreover, viral shedding was completely blocked in vaccinated ducks after challenge with a homologous H9N2 AIV at both 3 and 37 weeks post-vaccination. CONCLUSIONS: The results of this study indicate that the inactivated H9N2 vaccine induces high and prolonged immune response in vaccinated ducks and are efficacious in protecting ducks from H9N2 infection.


Subject(s)
Influenza A Virus, H9N2 Subtype/immunology , Influenza Vaccines/immunology , Influenza in Birds/prevention & control , Adjuvants, Immunologic/administration & dosage , Animals , Antibodies, Viral/blood , China , Ducks , Hemagglutination Inhibition Tests , Influenza Vaccines/administration & dosage , Influenza in Birds/immunology , Oleic Acids/administration & dosage , Treatment Outcome , Vaccines, Inactivated/administration & dosage , Vaccines, Inactivated/immunology , Virus Shedding
9.
J Virol Methods ; 217: 64-9, 2015 Jun 01.
Article in English | MEDLINE | ID: mdl-25745957

ABSTRACT

Previous studies demonstrated that the H3 avian influenza virus (AIV) in China is isolated most frequently from wild birds and live poultry markets. However, there is no subtype-specific real-time polymerase chain reaction (RT-PCR) available for the rapid and highly sensitive identification of H3 AIV. In this study, a TaqMan minor groove binder (MGB) probe and a pair of primers were designed based on a conserved region in the hemagglutinin gene of H3 AIV. These were used to generate an H3-MGB RT-PCR assay that recognizes only H3 AIV. The detection limit of the H3-MGB RT-PCR was 10 copies of DNA per reaction when 10-fold serial dilutions of T-H3HA plasmid were used as the template. This was 1000-times more sensitive than conventional RT-PCR. In experimental samples obtained from oropharyngeal swabs or cloacal swabs, the virus was detected in all ducks using H3-MGB RT-PCR, whereas only one duck tested positive for the virus in oropharyngeal swabs tested using conventional RT-PCR. The H3-MGB RT-PCR assay developed in this study is a sensitive and rapid tool for screening H3 AIV in China.


Subject(s)
Hemagglutinin Glycoproteins, Influenza Virus/genetics , Influenza A virus/isolation & purification , Influenza in Birds/diagnosis , Molecular Diagnostic Techniques/methods , Real-Time Polymerase Chain Reaction/methods , Reverse Transcriptase Polymerase Chain Reaction/methods , Veterinary Medicine/methods , Animals , China , Cloaca/virology , DNA Primers/genetics , Ducks , Influenza A virus/classification , Influenza A virus/genetics , Influenza in Birds/virology , Oligonucleotide Probes/genetics , Oropharynx/virology , Sensitivity and Specificity , Time Factors
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