Browsing by Author "Yang, Yong"

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    Plasma-enhanced chemical vapor deposition synthesis of vertically oriented graphene nanosheets
    (Cambridge : RSC Publ., 2013) Bo, Zheng; Yang, Yong; Chen, Junhong; Yu, Kehan; Yan, Jianhua; Cen, Kefa
    Vertically oriented graphene (VG) nanosheets have attracted growing interest for a wide range of applications, from energy storage, catalysis and field emission to gas sensing, due to their unique orientation, exposed sharp edges, non-stacking morphology, and huge surface-to-volume ratio. Plasma-enhanced chemical vapor deposition (PECVD) has emerged as a key method for VG synthesis; however, controllable growth of VG with desirable characteristics for specific applications remains a challenge. This paper attempts to summarize the state-of-the-art research on PECVD growth of VG nanosheets to provide guidelines on the design of plasma sources and operation parameters, and to offer a perspective on outstanding challenges that need to be overcome to enable commercial applications of VG. The review starts with an overview of various types of existing PECVD processes for VG growth, and then moves on to research on the influences of feedstock gas, temperature, and pressure on VG growth, substrate pretreatment, the growth of VG patterns on planar substrates, and VG growth on cylindrical and carbon nanotube (CNT) substrates. The review ends with a discussion on challenges and future directions for PECVD growth of VG. © 2013 The Royal Society of Chemistry.
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    When Density Functional Approximations Meet Iron Oxides
    (Washington, DC : Soc., 2016) Meng, Yu; Liu, Xing-Wu; Huo, Chun-Fang; Guo, Wen-Ping; Cao, Dong-Bo; Peng, Qing; Dearden, Albert; Gonze, Xavier; Yang, Yong; Wang, Jianguo; Jiao, Haijun; Li, Yongwang; Wen, Xiao-Dong
    Three density functional approximations (DFAs), PBE, PBE+U, and Heyd-Scuseria-Ernzerhof screened hybrid functional (HSE), were employed to investigate the geometric, electronic, magnetic, and thermodynamic properties of four iron oxides, namely, α-FeOOH, α-Fe2O3, Fe3O4, and FeO. Comparing our calculated results with available experimental data, we found that HSE (a = 0.15) (containing 15% "screened" Hartree-Fock exchange) can provide reliable values of lattice constants, Fe magnetic moments, band gaps, and formation energies of all four iron oxides, while standard HSE (a = 0.25) seriously overestimates the band gaps and formation energies. For PBE+U, a suitable U value can give quite good results for the electronic properties of each iron oxide, but it is challenging to accurately get other properties of the four iron oxides using the same U value. Subsequently, we calculated the Gibbs free energies of transformation reactions among iron oxides using the HSE (a = 0.15) functional and plotted the equilibrium phase diagrams of the iron oxide system under various conditions, which provide reliable theoretical insight into the phase transformations of iron oxides.