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      • Thermal phase transformation of In<sub>2</sub>Se<sub>3</sub> nanowires studied by <i>in situ</i> synchrotron radiation X-ray diffraction

        Li, Yang,Gao, Jing,Li, Qinliang,Peng, Mingfa,Sun, Xuhui,Li, Youyong,Yuan, Gang,Wen, Wen,Meyyappan, M. Royal Society of Chemistry 2011 Journal of materials chemistry Vol.21 No.19

        <P>We report the preparation of α- and κ-phase In<SUB>2</SUB>Se<SUB>3</SUB> nanowires by thermal evaporation and investigation of their phase transformations <I>in situ</I> by synchrotron radiation X-ray diffraction (XRD) during a thermal annealing process. The κ-phase transformed into the α-phase at 500 °C and eventually transformed to high temperature α-phase with a layered structure of 5 atoms-5 atoms at 700 °C irreversibly. Different atomistic structures of In<SUB>2</SUB>Se<SUB>3</SUB> were modeled and optimized by DFT, which correlate well with the XRD results. The In<SUB>2</SUB>Se<SUB>3</SUB> nanowires also exhibit a large difference in resistivity before and after annealing.</P> <P>Graphic Abstract</P><P>In<SUB>2</SUB>Se<SUB>3</SUB> nanowires are synthesised by thermal evaporation and their phase transformations are investigated <I>in situ</I> by synchrotron radiation XRD. The nanowires also exhibit a large difference in resistivity before and after annealing. <IMG SRC='http://pubs.rsc.org/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=c1jm10419e'> </P>

      • KCI등재

        Synergetics based damage detection of frame structures using piezoceramic patches

        Xiaobin Hong,Jiaobiao Ruan,Guixiong Liu,Tao Wang,Youyong Li,Gangbing Song 국제구조공학회 2016 Smart Structures and Systems, An International Jou Vol.17 No.2

        This paper investigates the Synergetics based Damage Detection Method (SDDM) for frame structures by using surface-bonded PZT (Lead Zirconate Titanate) patches. After analyzing the mechanism of pattern recognition from Synergetics, the operating framework with cooperation-competition-update process of SDDM was proposed. First, the dynamic identification equation of structural conditions was established and the adjoint vector (AV) set of original vector (OV) set was obtained by Generalized Inverse Matrix (GIM).Then, the order parameter equation and its evolution process were deduced through the strict mathematics ratiocination. Moreover, in order to complete online structural condition update feature, the iterative update algorithm was presented. Subsequently, the pathway in which SDDM was realized through the modified Synergetic Neural Network (SNN) was introduced and its assessment indices were confirmed. Finally, the experimental platform with a two-story frame structure was set up. The performances of the proposed methodology were tested for damage identifications by loosening various screw nuts group scenarios. The experiments were conducted in different damage degrees, the disturbance environment and the noisy environment, respectively. The results show the feasibility of SDDM using piezoceramic sensors and actuators, and demonstrate a strong ability of anti-disturbance and anti-noise in frame structure applications. This proposed approach can be extended to the similar structures for damage identification.

      • KCI등재

        Two-dimensional porous polyphthalocyanine (PPc) as an efficient gas-separation membrane for ammonia synthesis

        Zhaoran Wang,Huilong Dong,Xiaohui Yu,Yujin Ji,Tingjun Hou,Youyong Li 한국물리학회 2017 Current Applied Physics Vol.17 No.12

        Porous monolayer materials have been proven potential for gas separation and purification, because of their natural pathways of controllable sizes and well-ordered distribution. In this work, a novel material, two-dimensional (2D) porous polyphthalocyanine (PPc) is investigated by density functional theory (DFT) simulations for separating NH3 from H2 and N2 during ammonia synthesis process. Based on the calculated diffusion barriers through transition state search, we demonstrate that 2D PPc is able to offer high selectivity (107) of (H2, N2)/NH3 at room temperature. Further molecular dynamics (MD) simulation also indicates that the 2D PPc can effectively separate NH3 from H2 and N2. Thus the 2D PPc is promising for the practical applications of synthetic ammonia process.

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        B40 fullerene: An efficient material for CO2 capture, storage and separation

        Huilong Dong,Bin Lin,Keith Gilmore,Tingjun Hou,Shuit-Tong Lee,Youyong Li 한국물리학회 2015 Current Applied Physics Vol.15 No.9

        Novel nanomaterials are promising for capture, storage and separation of CO2. By density functional calculations, we find that the newly discovered B40 fullerene is a suitable candidate. CO2 forms stable chemisorptions with B40 on specific sites, which is validated by the high adsorption energy, large charge transfer, and kinetic feasibility for B40(CO2) complexes. Due to the strong chemisorption, B40 shows high adsorption capacity for CO2 (up to 13.87 mmol/g). In addition, B40 shows good selectivity for CO2 and is efficient in separating it from gas mixtures like CO2/N2, CO2/H2, and CO2/CH4.

      • Real-Space Imaging of the Atomic Structure of Organic–Inorganic Perovskite

        Ohmann, Robin,Ono, Luis K.,Kim, Hui-Seon,Lin, Haiping,Lee, Michael V.,Li, Youyong,Park, Nam-Gyu,Qi, Yabing American Chemical Society 2015 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY - Vol.137 No.51

        <P>Organic–inorganic perovskite is a promising class of materials for photovoltaic applications and light emitting diodes. However, so far commercialization is still impeded by several drawbacks. Atomic-scale effects have been suggested to be possible causes, but an unequivocal experimental view at the atomic level is missing. Here, we present a low-temperature scanning tunneling microscopy study of single crystal methylammonium lead bromide CH<SUB>3</SUB>NH<SUB>3</SUB>PbBr<SUB>3</SUB>. Topographic images of the in situ cleaved perovskite surface reveal the real-space atomic structure. Compared to the bulk we observe modified arrangements of atoms and molecules on the surface. With the support of density functional theory we explain these by surface reconstruction and a substantial interplay of the orientation of the polar organic cations (CH<SUB>3</SUB>NH<SUB>3</SUB>)<SUP>+</SUP> with the position of the hosting anions. This leads to structurally and electronically distinct domains with ferroelectric and antiferroelectric character. We further demonstrate local probing of defects, which may also impact device performance.</P><P><B>Graphic Abstract</B> <IMG SRC='http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/2015/jacsat.2015.137.issue-51/jacs.5b08227/production/images/medium/ja-2015-08227g_0006.gif'></P><P><A href='http://pubs.acs.org/doi/suppl/10.1021/ja5b08227'>ACS Electronic Supporting Info</A></P>

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