Bulk and surface properties of proton stability and transportation in Y and Nd co-doped BaCeO3 (BCYN), especially the effect of Nd segregation, were investigated by first-principles calculations. Since the structure of doped BaCeO3 at the operating temperature of proton-conducting has been unclear for a long time, we have summarized the latest experimental results and calculated the structure of the asymmetric BCYN for the first time. The results show that compared with Y, Nd doping promotes oxygen vacancy formation, however reduces proton stability. Our calculation can also provide a possible explanation for the formation of space charge layer at the grain boundary of doped BaCeO3 in experiment. Unlike the stable Y in BCYN, Nd is calculated to be easily segregated, which can facilitate both proton hydration and proton transportation near the surface. Moreover, Nd segregation at the grain boundary is predicted to be beneficial for proton transportation between grains. 相似文献
Process object is the instance of process. Vertexes and edges are in the graph of process object. There are different types of the object itself and the associations between object. For the large-scale data, there are many changes reflected. Recently, how to find appropriate real-time data for process object becomes a hot research topic. Data sampling is a kind of finding c hanges o f p rocess o bjects. There i s r equirements f or s ampling to be adaptive to underlying distribution of data stream. In this paper, we have proposed a adaptive data sampling mechanism to find a ppropriate d ata t o m odeling. F irst o f all, we use concept drift to make the partition of the life cycle of process object. Then, entity community detection is proposed to find changes. Finally, we propose stream-based real-time optimization of data sampling. Contributions of this paper are concept drift, community detection, and stream-based real-time computing. Experiments show the effectiveness and feasibility of our proposed adaptive data sampling mechanism for process object. 相似文献
This work intends to develop an online experimental system for screening of deoxynivalenol (DON) contamination in whole wheat meals by visible/near-infrared (Vis/NIR) spectroscopy and computer vision coupling technology. Spectral and image information of samples with various DON levels was collected at speed of 0.15 m s−1 on a conveyor belt. The two-type data were then integrated and subjected to chemometric analysis. Discriminant analysis showed that samples could be classified by setting 1000 μg kg−1 as the cut-off value. The best correct classified rate obtained in prediction was 93.55% based on fusion of spectral and image features, with reduced prediction uncertainty as compared to single feature. However, quantification of DON by quantitative analysis was not successful due to poor model performance. These results indicate that, although not accurate enough to provide conclusive result, this coupling technology could be adopted for rapid screening of DON contamination in cereals and feeds during processing. 相似文献
Herein, we propose a novel method to enhance the photoreactivity of an MOF catalyst by grafting isocyanate bonds ( NCO) and sulfhydryl-complexed copper ( SCu) onto ZIF-8 (NIF-SCu). The grafting process intercalated interlayer bands between the conduction and valence bands of ZIF-8, thereby providing a “ladder” for facile electron transition. The extreme improvement in the photoreactivity of NIF-SCu could be attributed to the enhancement in light responses in the range of 350–450 nm by NCO groups and the widening of the visible light range of the MOF by SCu groups. The formation of staggered energy levels in NIF-SCu could also narrow the band gap, lower the resistance, and facilitate the transfer of photogenerated carriers, thereby generating electrons with strong reduction potential in the SCu conduction band. This study provides a new strategy for improving or even endowing the photoactivity of environmental functional materials with wide bandgaps. 相似文献
This work proposed a new path to synthesize Ni-phyllosilicate through the reaction of nickel hydroxide and silica sol on the surface of Ni-foam to form the monolithic Ni-phyllosilicate/Ni-foam catalyst. Ni-phyllosilicate could reprint the morphology of nickel hydroxid and firmly anchor on the framework of Ni-foam, which obtained fine Ni particles of 2.8 nm after reduction in H2 at 650 °C, resulting in high catalytic activity for CO2 methanation. In addition, the Ni-phyllosilicate/Ni-foam catalyst showed high long-term stability in a 100 h-lifetime test owing to the combined effects of surface confinement of Ni-phyllosilicate, firm anchoring between Ni-phyllosilicate and Ni-foam, as well as the high heat transfer property of Ni-foam.
This work demonstrates a facile Nb2O5-decorated electrocatalyst to prepare cost-effective Ni–Fe–P–Nb2O5/NF and compared HER & OER performance in alkaline media. The prepared electrocatalyst presented an outstanding electrocatalytic performance towards hydrogen evolution reaction, which required a quite low overpotential of 39.05 mV at the current density of ?10 mA cm?2 in 1 M KOH electrolyte. Moreover, the Ni–Fe–P–Nb2O5/NF catalyst also has excellent oxygen evolution efficiency, which needs only 322 mV to reach the current density of 50 mA cm?2. Furthermore, its electrocatalytic performance towards overall water splitting worked as both cathode and anode achieved a quite low potential of 1.56 V (10 mA cm?2). 相似文献