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Alamri  Sagr  Rajhi  Ali A.  Wu  Liang 《Structural chemistry》2022,33(3):671-677
Structural Chemistry - In order to evaluate the electrical response of boron nitride nanocones (BNNCs) to phenol gas, density functional theory (DFT) calculations are employed. The sensitivity and...  相似文献   
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Liang  Guiming  Huang  Yunbao  Li  Haiyan  Lin  Jingliang 《Nonlinear dynamics》2021,105(4):3393-3407
Nonlinear Dynamics - The modal truncation is usually used in the dynamic response analysis of flexible multibody systems, in which, appropriate selection of modal shapes is very critical to achieve...  相似文献   
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Wang  Jiamin  Bi  Chongke  Deng  Liang  Wang  Fang  Liu  Yang  Wang  Yueqing 《显形杂志》2021,24(3):531-544
Journal of Visualization - In the in situ visualization of large-scale simulation, if using the traditional sort-last parallel rendering method, the performance cannot be fully improved due to the...  相似文献   
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International Journal of Theoretical Physics - In this work, we give an analytical derivation of the reduced density matrix between two qubits in a cavity field, which is described by the quantum...  相似文献   
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Chen  Liang  Zhu  Junyuan  Zhao  Xinyuan 《中国科学 数学(英文版)》2022,65(11):2397-2422
Science China Mathematics - In this paper, we accomplish the unified convergence analysis of a second-order method of multipliers (i.e., a second-order augmented Lagrangian method) for solving the...  相似文献   
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Three one-dimensional ladder-like coordination polymers consisting of Cd6 metalloring as the building unit, {[Cd4LCl4]·3H2O}n ( 1 ), {[Cd3L(ClO4)(H2O)]ClO4·3H2O}n ( 2 ), and {[Cd6(L)2(NO3)2(CH3OH)(H2O)](NO3)2·2CH3OH·5H2O}n ( 3 ), were solvothermally constructed from a carboxylic functionalized bisazamacrocyclic ligand 4,4′-bis((4,7-bis(2-carboxyethyl)-1,4,7-triazacyclonon-1-yl)methyl)-1,1′-biphenyl (H4L). These compounds dispersed in ethanol show the multiple emissions originating from the monomeric and intramolecularly overlapping biphenyl moieties which could be sensitively quenched by picric acid (PA) and 4-nitrophenol (4-NP) through the effective fluorescence resonance energy transfer process. The differential fluorescent responses of each compound on exposure to PA and 4-NP individually make the convenient ratiometric discrimination of two analytes based on the fluorescent intensity ratio (I320/I360) attainable, and 1 and 2 as ratiometric chemosensors for PA present a broad linear detection range from 4 to 300 μM with detection limits of 0.84 and 0.93 μM, respectively. Furthermore, the blue light emission of 1 under an ultraviolet lamp could be selectively quenched by PA even in the presence of all other interfering nitroaromatic pollutants, which empowers the fast visual detection of PA by naked eye.  相似文献   
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Developing efficient counter electrodes (CEs) and quantum dots made of earth-abundant and non-toxic elements is essential but still challenging for quantum dot-sensitized solar cells (QDSSCs). Here, we report a facile strategy to prepare self-supported and robust CoS2 and NiS nanocrystals-assembled nanosheets directly grown on carbon paper (MSx NS@CP) as efficient counter electrodes for QDSSCs. Such CEs integrate the merits of fast electron transfer from interconnected conductive scaffold, efficient mass transfer from hierarchically vertical nanosheet on 3D open substrate, as well as abundant highly active catalytic sites from metal sulphide nanocrystal units. As a result, QDDSCs based on such CoS2 NS@CP and NiS NS@CP CEs achieve a PCE of 8.88% and 7.53%, respectively. The detailed analyses suggest that CoS2 NS@CP has the highest catalytic activity and shows the lowest charger transfer resistance, leading to the highest PCE. These findings may inspire the design and exploration of other self-supported efficient CEs by integrating highly active catalysts onto 3D conductive networks for efficient QDSSCs.  相似文献   
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