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31.
K. A. Sree Raj Afsal S. Shajahan Dr. Brahmananda Chakraborty Dr. Chandra Sekhar Rout 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(29):6662-6669
In this work, the ternary hybrid structure VSe2/SWCNTs/rGO is reported for supercapacitor applications. The ternary composite exhibits a high specific capacitance of 450 F g−1 in a symmetric cell configuration, with maximum energy density of 131.4 Wh kg−1 and power density of 27.49 kW kg−1. The ternary hybrid also shows a cyclic stability of 91 % after 5000 cycles. Extensive density functional theory (DFT) simulations on the structure as well as on the electronic properties of the binary hybrid structure VSe2/SWCNTs and the ternary hybrid structure VSe2/SWCNTs/rGO have been carried out. Due to a synergic effect, there are enhanced density of states near the Fermi level and higher quantum capacitance for the hybrid ternary structure compared to VSe2/SWCNTs, leading to higher energy and power density for VSe2/SWCNTs/rGO, supporting our experimental observation. Computed diffusion energy barrier of electrolyte ions (K+) predicts that ions move faster in the ternary structure, providing higher charge storage performance. 相似文献
32.
Vishal Kandathil Aisha Siddiqa Abhinandan Patra Bhakti Kulkarni Manjunatha Kempasiddaiah B.S. Sasidhar Shivaputra A. Patil Chandra Sekhar Rout Siddappa A. Patil 《应用有机金属化学》2020,34(11):e5924
N-heterocyclic carbene (NHC)-palladium(II) complex (GO@NHC-Pd) was synthesized on graphene oxide (GO) support via a simple and cost-effective multistep approach. The spectroscopic, microscopic, thermal, and surface analyses of GO@NHC-Pd confirmed the successful formation of the catalyst. The investigation of catalytic activity showed that GO@NHC-Pd was very effective in Suzuki–Miyaura as well as Hiyama cross-coupling. Being heterogeneous in nature, GO@NHC-Pd was recovered after each reaction cycle easily and reused for up to nine and six cycles in Suzuki–Miyaura and Hiyama cross-coupling, respectively, without significant loss of activity. Further exploration of the supercapacitor performance of GO@NHC-Pd catalyst assembled in a two-electrode cell configuration shown a maximum attained capacitance of 105.26 F/g at a current density of 0.1 A/g with good cycling stability of 96.89% over 2,500 cycles. 相似文献
33.
Khalid Naim Manjeet Singh Sachin Sharma Dr. Rajesh V. Nair Prof. Paloth Venugopalan Dr. Subash Chandra Sahoo Dr. Prakash P. Neelakandan 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(52):11979-11984
The design of molecular compounds that exhibit flexibility is an emerging area of research. Although a fair amount of success has been achieved in the design of plastic or elastic crystals, realizing multidimensional plastic and elastic bending remains challenging. We report herein a naphthalidenimine–boron complex that showed size-dependent dual mechanical bending behavior whereas its parent Schiff base was brittle. Detailed crystallographic and spectroscopic analysis revealed the importance of boron in imparting the interesting mechanical properties. Furthermore, the luminescence of the molecule was turned-on subsequent to boron complexation, thereby allowing it to be explored for multimode optical waveguide applications. Our in-depth study of the size-dependent plastic and elastic bending of the crystals thus provides important insights in molecular engineering and could act as a platform for the development of future smart flexible materials for optoelectronic applications. 相似文献
34.
ABSTRACTWe study the effect of the external electric field Fext on the low-temperature electron mobility μ in an asymmetrically doped AlxGa1-xAs based V-shaped double quantum well (VDQW) structure. We show that nonlinearity of µ occurs under double subband occupancy on account of intersubband effects. The field Fext alters the VDQW potential leading to transfer of subband wave functions between the wells, which affects the scattering potentials and hence μ. In the VDQW structure, due to the alloy channel layer, the alloy disorder (Al-) scattering happens to be significant along with the ionised impurity (Imp-) scattering. The non-linear behaviour of μ is because of μImp, while the overall magnitude of μ is mostly due to μAl. The increase of difference in the doping concentrations of the outer barriers increases the nonlinearity of μ. The oscillatory character of μ is amended by varying the width of the well and barrier and also the height of the VDQW. Our results can be used to study VDQW based nanoscale field effect transistor structures. 相似文献
35.
A sharp‐interface immersed boundary framework for simulations of high‐speed inviscid compressible flows 下载免费PDF全文
Shuvayan Brahmachary Ganesh Natarajan Vinayak Kulkarni Niranjan Sahoo 《国际流体数值方法杂志》2018,86(12):770-791
A new finite‐volume flow solver based on the hybrid Cartesian immersed boundary (IB) framework is developed for the solution of high‐speed inviscid compressible flows. The IB method adopts a sharp‐interface approach, wherein the boundary conditions are enforced on the body geometry itself. A key component of the present solver is a novel reconstruction approach, in conjunction with inverse distance weighting, to compute the solutions in the vicinity of the solid‐fluid interface. We show that proposed reconstruction leads to second‐order spatial accuracy while also ensuring that the discrete conservation errors diminish linearly with grid refinement. Investigations of supersonic and hypersonic inviscid flows over different geometries are carried out for an extensive validation of the proposed flow solver. Studies on cylinder lift‐off and shape optimisation in supersonic flows further demonstrate the efficacy of the flow solver for computations with moving and shape‐changing geometries. These studies conclusively highlight the capability of the proposed IB methodology as a promising alternative for robust and accurate computations of compressible fluid flows on nonconformal Cartesian meshes. 相似文献
36.
The electric field gradients at27Al and63Cu nuclei which are nearest neighbors to the muon in the face-centered cubic metals aluminum and copper, with muon at an octahedral
interstitial site, are studied. The electron density fluctuations needed for the evaluation of the electronic, or valence,
contributions to field gradients are taken from earlier investigations involving the spherical solid approximation. The enhancement
factors a that have to be applied to the electric field-gradients obtained from these approximations, due to the departures
of the electronic wave-functions from plane-wave character, and the incorporation of antishielding effects, have been obtained
for both APW and OPW approaches to the conduction electron wave-functions and good agreement is found between the results
by the two approaches. Size effects due to the lattice distortion associated with the presence of the muon are included through
actual point ion summations using available calculated displacements of the ions surrounding the muon. The valence contributions
are the dominant ones but the size effect contributions are also significant. The net field-gradient obtained for the27Al site is significantly smaller than experiment while that for63Cu is substantially larger than experiment. Possible sources that could lead to better agreement with experiment are discussed
and it is concluded that major improvement is needed in the valence effect contributions in both metals. 相似文献
37.
J. P. B. Silva K. C. Sekhar A. Almeida J. Agostinho Moreira M. Pereira M. J. M. Gomes 《Applied Physics A: Materials Science & Processing》2013,113(2):379-384
BaTiO3 thin films were deposited by pulsed laser deposition on Pt–Si at different laser pulse repetition frequencies. X-ray diffraction spectra show that preferred oriented films can be grown by adjusting the pulse repetition frequency. Enhanced dielectric and ferroelectric properties obtained in films deposited at 1 Hz is attributed to preferred orientation, low strain and homogeneous grain distribution. The films deposited at 1 Hz show an impressive remanent polarization of 21.4 μC/cm2 with a coercive field of 70.0 kV/cm. The shift in Curie temperature, which stems from changing the laser pulse repetition frequency, is associated with the strain state in the film. 相似文献
38.
Gamma-induced modifications in polycarbonate polymer have been studied in the dose range of 101–106 Gy. Thin films of polycarbonate have been irradiated with different gamma doses from a Co60 source. To monitor the modifications caused by gamma radiation, FT-IR, differential scanning calorimetry and X-ray diffraction studies have been performed. The studies have indicated that at the dose of 106 Gy, phenolic group forms through scissioning of ester linkage. Though the effect of radiation is most significant at the highest dose, the process of modifications starts at 103 Gy. Scissioning of the polymeric chain initiates a different morphological zone within the polymer matrix, and the polymer becomes more crystalline with increasing dose. Owing to chain scissioning, the mobility of the polymer increases, which in turn reduces the glass transition temperature of the polymer. 相似文献
39.
For distinct points x1,x2,…,xn in ℛ (the reals), letϕ[x1, x2,…,xn] denote the divided difference ofϕ. In this paper, we determine the general solutionϕ,g: ℛ → ℛ of the functional equationϕ[x1,x2,…,xn] =g(x1,+ x2 + … + xn) for distinct x1,x2,…, xn in ℛ without any regularity assumptions on the unknown functions. 相似文献
40.
Satyabrata Sahoo Y.K. Ho 《Journal of Quantitative Spectroscopy & Radiative Transfer》2010,111(1):52-62
We present theoretical photoionization cross sections for He 1s2s 1S and He 1s2p 1P states in a Debye plasma environment by the complex coordinate rotation method, using a finite L2 basis set constructed from one electron Laguerre orbitals. The plasma environment is found to appreciably influence the photoionization cross sections near the ionization threshold. In this regard, the photoionization cross sections of isolated He are compared with other theoretical and experimental results. Our results are in good agreement with the previous results. A new minimum appears in the photoionization cross section curve for the metastable 1s2s 1S state. Results are given for the S- and D-wave partial photoionization for the excited 1s2p 1P state. 相似文献