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41.
42.
A new efficient synthesis of multisubstituted 1H-imidazo-[4,5-c]quinoline derivatives via sequential van Leusen/Staudinger/aza-Wittig/carbodiimide-mediated cyclization was developed. Azides 4, obtained from Van Leusen reaction of 2-azidobenzaldehyde 1, amine 2 and TosMIC (tosylmethyl isocyanide) 3, reacted with triphenyl phosphine to produce iminophosphorane 5. A tandem aza-Wittig reaction of iminophosphorane 5 with isocyanate generated 1H-imidazo-[4,5-c]quinoline 7 through carbodiimide intermediate 6 in moderate to good yield. 相似文献
43.
Dr. Huanhuan Shi Prof. Mengmeng Li Shuai Fu Dr. Christof Neumann Dr. Xiaodong Li Dr. Wenhui Niu Yunji Lee Prof. Mischa Bonn Dr. Hai I. Wang Prof. Andrey Turchanin Dr. Ali Shaygan Nia Dr. Sheng Yang Prof. Xinliang Feng 《Angewandte Chemie (International ed. in English)》2023,62(28):e202303929
Two-dimensional van der Waals heterostructures (2D vdWHs) have recently gained widespread attention because of their abundant and exotic properties, which open up many new possibilities for next-generation nanoelectronics. However, practical applications remain challenging due to the lack of high-throughput techniques for fabricating high-quality vdWHs. Here, we demonstrate a general electrochemical strategy to prepare solution-processable high-quality vdWHs, in which electrostatic forces drive the stacking of electrochemically exfoliated individual assemblies with intact structures and clean interfaces into vdWHs with strong interlayer interactions. Thanks to the excellent combination of strong light absorption, interfacial charge transfer, and decent charge transport properties in individual layers, thin-film photodetectors based on graphene/In2Se3 vdWHs exhibit great promise for near-infrared (NIR) photodetection, owing to a high responsivity (267 mA W−1), fast rise (72 ms) and decay (426 ms) times under NIR illumination. This approach enables various hybrid systems, including graphene/In2Se3, graphene/MoS2 and graphene/MoSe2 vdWHs, providing a broad avenue for exploring emerging electronic, photonic, and exotic quantum phenomena. 相似文献
44.
Developing exact models of combustion instabilities is not an easy task to carry out and requires a great deal of time prior to obtaining success. The present study proposes a low-order model for pressure oscillations that does not require any knowledge of the systems, any new physical findings nor intricate details regarding its operating condition. This new approach is obtained using a Modified Van der Pol’s equation (MVDP) which is tuned by use of a Dual Extended Kalman Filter (DKEF) as a recursive estimator with perspectives in control by computer. This phenomenological model is used to predict the pressure signal from a variety of different combustors. Input data were taken from experimental cases such as a Rijke tube, a gas turbine and a liquid-fuel aero-engine combustor. Furthermore, a simulation considering high frequency oscillations to show the capability of the new approach is presented. In all cases, the results demonstrated the feasibility of applying the tractable model MVDP and DKEF running together to investigate pressure oscillations in practical cases. 相似文献
45.
Improved parameterization of the quantum harmonic oscillator model based on localized wannier functions to describe Van der Waals interactions in density functional theory 下载免费PDF全文
Pouya Partovi‐Azar Matthias Berg Simone Sanna Thomas D. Kühne 《International journal of quantum chemistry》2016,116(15):1160-1165
Recently, the quantum harmonic oscillator model has been combined with maximally localized Wannier functions to account for long‐range dispersion interactions in density functional theory calculations (Silvestrelli, J. Chem. Phys. 2013, 139, 054106). Here, we present a new, improved set of values for the three parameters involved in this scheme. To test the new parameter set we have computed the potential energy curves for various systems, including an isolated Ar2 dimer, two N2 dimers interacting within different configurations, and a water molecule physisorbed on pristine graphene. While the original set of parameters generally overestimates the interaction energies and underestimates the equilibrium distances, the new parameterization substantially improves the agreement with experimental and theoretical reference values. © 2016 Wiley Periodicals, Inc. 相似文献
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47.
Originally, the Carnot cycle was a theoretical thermodynamic cycle that provided an upper limit on the efficiency that any classical thermodynamic engine can achieve during the conversion of heat into work, or conversely, the efficiency of a refrigeration system in creating a temperature difference by the application of work to the system. The first aim of this paper is to introduce and study the economic Carnot cycles concerning Roegenian economics, using our thermodynamic–economic dictionary. These cycles are described in both a diagram and a diagram. An economic Carnot cycle has a maximum efficiency for a reversible economic “engine”. Three problems together with their solutions clarify the meaning of the economic Carnot cycle, in our context. Then we transform the ideal gas theory into the ideal income theory. The second aim is to analyze the economic Van der Waals equation, showing that the diffeomorphic-invariant information about the Van der Waals surface can be obtained by examining a cuspidal potential. 相似文献
48.
Elena Spreafico Giorgio Benedek Oleg Kornilov Jan Peter Toennies 《Molecules (Basel, Switzerland)》2021,26(20)
The absence of magic numbers in bosonic 4He clusters predicted by all theories since 1984 has been challenged by high-resolution matter-wave diffraction experiments. The observed magic numbers were explained in terms of enhanced growth rates of specific cluster sizes for which an additional excitation level calculated by diffusion Monte Carlo is stabilized. The present theoretical study provides an alternative explanation based on a simple independent particle model of the He clusters. Collisions between cluster atoms in excited states within the cluster lead to selective evaporation via an Auger process. The calculated magic numbers as well as the shape of the number distributions are in quite reasonable agreement with the experiments. 相似文献
49.
A.V. Moholkar S.M. Pawar K.Y. Rajpure C.H. Bhosale J.H. Kim 《Applied Surface Science》2009,255(23):9358-9364
The undoped and fluorine doped thin films are synthesized by using cost-effective spray pyrolysis technique. The dependence of optical, structural and electrical properties of SnO2 films, on the concentration of fluorine is reported. Optical absorption, X-ray diffraction, scanning electron microscope (SEM) and Hall effect studies have been performed on SnO2:F (FTO) films coated on glass substrates. The film thickness varies from 800 to 1572 nm. X-ray diffraction pattern reveals the presence of cassiterite structure with (2 0 0) preferential orientation for FTO films. The crystallite size varies from 35 to 66 nm. SEM and AFM study reveals the surface of FTO to be made of nanocrystalline particles. The electrical study reveals that the films are degenerate and exhibit n-type electrical conductivity. The 20 wt% F doped film has a minimum resistivity of 3.8 × 10−4 Ω cm, carrier density of 24.9 × 1020 cm−3 and mobility of 6.59 cm2 V−1 s−1. The sprayed FTO film having minimum resistance of 3.42 Ω/cm2, highest figure of merit of 6.18 × 10−2 Ω−1 at 550 nm and 96% IR reflectivity suggest, these films are useful as conducting layers in electrochromic and photovoltaic devices and also as the passive counter electrode. 相似文献
50.
Simple scaling consideration and NRG solution of the one- and two-channel Kondo model in the presence of a logarithmic Van Hove singularity at the Fermi level is given. The temperature dependences of local and impurity magnetic susceptibility and impurity entropy are calculated. The low-temperature behavior of the impurity susceptibility and impurity entropy turns out to be non-universal in the Kondo sense and independent of the s–d coupling J. The resonant level model solution in the strong coupling regime confirms the NRG results. In the two-channel case the local susceptibility demonstrates a non-Fermi-liquid power-law behavior. 相似文献