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81.
In this work, interaction nature between a group of aromatic sulfur compounds and [BMIM]+[FeCl4]− have been investigated by density functional theory (DFT). A coordination structure is found to be critical to the mechanism of extractive desulfurization. Interaction energy and extractive selectivity follow the order: thiophene (TH) < dibenzothiophene (DBT) ≈ benzothiophene (BT). Alkylation of TH or BT (e.g. 3-methylthiophene, and 3-methylbenzothiophene) leads to a stronger interaction with ionic liquid, but steric hindrance effects of some alkylic derivatives (e.g. 2,7-dimethylbenzothiophene) lead to a weaker interaction with ionic liquid. The mechanism of extractive desulfurization is attributed to the charge transfer effect. During extractive desulfurization, electrons on aromatic sulfur compounds transfer into the Lewis part of ionic liquid, namely, [FeCl4]−. Furthermore, it is better to consider the Lewis acidity of Fe-containing ionic liquid by the whole unit (such as [FeCl4]− and aromatic sulfur compounds (X)) rather than only Fe or S atom. 相似文献
82.
《Intermetallics》2015
The study attempts to perform a systematical investigation of the thermodynamic, mechanical and electronic properties of orthorhombic Au2Al crystal by using first-principles calculations incorporated with a quasi-harmonic Debye model. In addition, their temperature, hydrostatic pressure and direction dependences are also addressed. The investigation begins with evaluation of the equilibrated lattice constants and elastic constants of Au2Al single crystal. Next, the mechanical features of the single crystal, such as ductile-brittle characteristic and elastic anisotropy, are assessed based on the Cauchy pressures, shear anisotropy factors and directional Young's modulus. Alternatively, the pressure-dependence of polycrystalline mechanical properties of Au2Al, including bulk, shear and Young's moduli, and ductility, brittleness and microhardness characteristics are also estimated. Furthermore, the study also characterizes the temperature-dependence of thermodynamic properties of Au2Al single crystal, namely, Debye temperature and heat capacity. At last, electronic characteristic analysis is carried out to predict the electronic band structures and density of states profiles of the crystal.The calculation results indicate that Au2Al crystal is an elastically anisotropic material at zero pressure and a highly ductile material with low stiffness. In addition, the Young's moduli of the crystal would be markedly enhanced with the increase of the hydrostatic pressure. It is also found that the heat capacity of Au2Al at low temperature strictly sticks to the Debye T3 law. 相似文献
83.
84.
针对通用战备物资依托企业合同储备问题,从合作博弈的角度出发,引入期权合约理论,构建期权合约下合同储备激励机制模型。分析影响各方博弈主体策略选择的因素,对不同策略下参与主体双方的利润期望进行比较分析,确立期权合约理论下合理的期权价格范围,寻求军地双赢策略。实例分析表明,提出的方法具有可行性和有效性。 相似文献
85.
86.
Measuring cognitive load is important in virtual learning environments (VLE). Thus, valid and reliable measures of cognitive load are important to support instructional design in VLE. Through three studies, we investigated the validity and reliability of Leppink's Cognitive Load Scale (CLS) and developed the extraneous cognitive load (EL) dimension into three sub-scales relevant for VLE: EL instructions, EL interaction, and EL environment. We investigated the validity of the measures using the Partial Credit Model (PCM), Confirmatory Factor Analysis (CFA), and correlations with retention tests. Study 1 (n = 73) investigated the adapted version of the CLS. Study 2 describes the development and validation of the Multidimensional Cognitive Load Scale for Virtual Environments (MCLSVE), with 140 students in higher education. Study 3 tested the generalizability of the results with 121 higher education students in a more complicated VLE. The results provide initial evidence for the validity and reliability of the MCLSVE. 相似文献
87.
88.
Lai-Ying Leong Teck-Soon Hew Keng-Boon Ooi Alain Yee Loong Chong Voon-Hsien Lee 《Information & Management》2021,58(2):103416
This paper examines what influences trust in mobile social commerce environment. Drawing on trust-based acceptance model (i.e. cognitive and emotional trust) and online review features (i.e. profile photo, linguistic style, and reported experience), we examine how these factors affect trust in mobile social commerce. Hypotheses were tested using survey data. The results of our model showed that there are significant influences of profile photo, reported experience, cognitive, and emotional trust towards trust in ms-commerce. This work contributes to existing literature by examining the roles of previous trust in mobile payments and online reviews on trust in mobile social commerce. 相似文献
89.
Seiya Suzuki Takuya Iwasaki K. Kanishka H. De Silva Shigeru Suehara Kenji Watanabe Takashi Taniguchi Satoshi Moriyama Masamichi Yoshimura Takashi Aizawa Tomonobu Nakayama 《Advanced functional materials》2021,31(5):2007038
Germanene, a 2D honeycomb germanium crystal, is grown at graphene/Ag(111) and hexagonal boron nitride (h-BN)/Ag(111) interfaces by segregating germanium atoms. A simple annealing process in N2 or H2/Ar at ambient pressure leads to the formation of germanene, indicating that an ultrahigh-vacuum condition is not necessary. The grown germanene is stable in air and uniform over the entire area covered with a van der Waals (vdW) material. As an important finding, it is necessary to use a vdW material as a cap layer for the present germanene growth method since the use of an Al2O3 cap layer results in no germanene formation. The present study also proves that Raman spectroscopy in air is a powerful tool for characterizing germanene at the interfaces, which is concluded by multiple analyses including first-principles density functional theory calculations. The direct growth of h-BN-capped germanene on Ag(111), which is demonstrated in the present study, is considered to be a promising technique for the fabrication of future germanene-based electronic devices. 相似文献
90.