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Konstantinos Spyrou Matteo Calvaresi Evmorfia K. Diamanti Theodoros Tsoufis Dimitrios Gournis Petra Rudolf Francesco Zerbetto 《Advanced functional materials》2015,25(2):263-269
Experimental and theoretical studies are performed in order to illuminate, for first time, the intercalation mechanism of polycyclic aromatic molecules into graphite oxide. Two representative molecules of this family, aniline and naphthalene amine are investigated. After intercalation, aniline molecules prefer to covalently connect to the graphene oxide matrix via chemical grafting, while napthalene amine molecules bind with the graphene oxide surface through π–π interactions. The presence of intercalated aromatic molecules between the graphene oxide layers is demonstrated by X‐ray diffraction, while the type of interaction between graphene oxide and polycyclic organic molecules is elucidated by X‐ray photoelectron spectroscopy. Combined quantum mechanical and molecular mechanical calculations describe the intercalation mechanism and the aniline grafting, rationalizing the experimental data. The present work opens new perspectives for the interaction of various aromatic molecules with graphite oxide and the so‐called “intercalation chemistry”. 相似文献
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Spinel LiSr0·1Cr0·1Mn1·8O4 was synthesised by high temperature solid state method in order to enhance the electrochemical performance. The LiSr0·1Cr0·1Mn1·8O4 (LSCMO) materials were characterised by X-ray diffraction (XRD), scanning electron microscopy (SEM) and electrochemical tests. The XRD and SEM studies confirm that LSCMO had spinel crystal structure with a space group of Fd3m, and the particle of LSCMO shows irregular shape. The cyclic voltammetry data illustrated that the heavy current charge–discharge performance of LMO was improved by Sr2+ and Cr3+ doping. The galvanostatic charge–discharge of LSCMO cathode materials was measured at 1, 5, 10 and 20 C. The results indicated that LSCMO improved the capacity retention. 相似文献
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Strength of Materials - A metallographic method, dilatometry, and X-ray diffraction were applied to investigate the effects of undercooling and holding time on bainitic transformation,... 相似文献
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Konstantinos Tserpes Ioannis Floros 《Fatigue & Fracture of Engineering Materials & Structures》2019,42(7):1430-1440
A numerical model has been developed for simulating fatigue crack growth (debonding) in adhesively bonded composite joints subjected to mode‐I, mode‐II, and mixed‐mode I + II loading conditions. The model employs a cohesive zone model described by a modified bilinear traction‐separation law. Fatigue damage in the composite adherends is not considered in the model. To account for crack divergence and reduce sensitivity of numerical results on mesh density, a crack front detection algorithm based on the effective element's length was employed. The model is implemented as a user‐defined subroutine (UMAT) in the commercial FE code LS‐DYNA. The model's input parameters, in the form of a modified Paris law, and the validation data were obtained from experimental tests conducted by the authors. It was found that the model is able to successfully simulate crack growth in the regime of the experimental data. 相似文献
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Neil Maiden Kristine Pitts Kevin Pudney Konstantinos Zachos 《International journal of human-computer interaction》2019,35(7):605-619
There has been little research to investigate the impact of software to support the care for older people with dementia care. This article reports the evaluation of software adapted to support one key person-centered task for the care of older residents with dementia – recording and sharing daily care notes. The evaluation on the dementia wing of 1 residential home for over 6 months revealed that use of the software on mobile devices carried by the carers increased the number and volume of daily care notes recorded, but only for the types of content that were already being recorded by carers. Carers reported more advantages that resulted from daily care notes once in digital form than from the documenting task, as well as barriers to the use of mobile digital software to record daily care notes. 相似文献
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