Reaction environment self-modification on low-coordination Ni2+ octahedra atomic interface for superior electrocatalytic overall water splitting

Large scale synthesis of high-efficiency bifunctional electrocatalyst based on cost-effective and earth-abundant transition metal for overall water splitting in the alkaline environment is indispensable for renewable energy conversion. In this regard, meticulous design of active sites and probing their catalytic mechanism on both cathode and anode with different reaction environment at molecular-scale are vitally necessary. Herein, a coordination environment inheriting strategy is presented for designing low-coordination Ni²⁺ octahedra (L-Ni-8) atomic interface at a high concentration (4.6 at.%). Advanced spectroscopic techniques and theoretical calculations reveal that the self-matching electron delocalization and localization state at L-Ni-8 atomic interface enable an ideal reaction environment at both cathode and anode. To improve the efficiency of using the self-modification reaction environment at L-Ni-8, all of the structural features, including high atom economy, mass transfer, and electron transfer, are integrated together from atomic-scale to macro-scale. At high current density of 500 mA/cm², the samples synthesized at gram-scale can deliver low hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) overpotentials of 262 and 348 mV, respectively.

     

原料丙烯中的杂质对聚合反应的影响

就目前来看,聚丙烯主要采用液相本体生产方式,因原料丙烯内含杂质,对生产聚合反应造成一定不良影响的问题日渐凸显。为从根本上提升聚丙烯生产质量与效率,相关研究工作者需对原料丙烯中杂质种类以及对聚合反应的影响进行深入分析,制定出最佳优化方案。     

Fermatean fuzzy linguistic set and its application in multicriteria decision making

In this paper, we propose the concept of Fermatean fuzzy linguistic term sets based on linguistic term sets and Fermatean fuzzy sets. The basic operational laws, the score function, and the accuracy function of Fermatean fuzzy linguistic numbers are provided. Then we propose the Fermatean fuzzy linguistic weighted aggregation operator, the Fermatean fuzzy linguistic weighted geometric operator, and the Fermatean fuzzy linguistic distance measures. Furthermore, we extend the TOPSIS method to the proposed distance measures, and the ranking of alternatives is obtained under a Fermatean fuzzy linguistic environment. An example is provided to illustrate the feasibility and effectiveness of the proposed method, and a comparison with the existing method is also analyzed. Finally, the sensitivity analysis of the parameter in the proposed distance measure is also discussed.     

Novel high-energy ionic molecules deriving from new monovalent and divalent 4-oxyl-3,5-dinitropyrazolate moieties

ABSTRACT

In recent years, the exploration of a practical strategy for novel energetic molecules with high energy and low sensitivity is very desirable but highly challenging. Novel ionic energetic molecules have attracted much attention in this area due to their prominent advantages including low sensitivities, high thermal stability, and excellent energy performances. Herein, five different ionic energetic molecules based on new monovalent and divalent 4-oxyl-3,5-dinitropyrazolate moieties with enhanced oxygen balance have been synthesized, characterized and evaluated as potential high-energy materials. Thermal stability, sensitivities and energy output test were measured and studied in detail. The heats of formation and energetic parameters were calculated by using Gaussian 09 suite of programs and EXPLO 5 code. The results suggest that all as-prepared new molecules exhibit good thermal stability with high decomposition temperature (3, 231°C; 5, 160°C; 6, 185°C; 7, 180°C; 8, 213°C), and relative low sensitivity (IS > 20 J, FS = 324 N). Inheriting the significant oxygen content of monovalent and divalent 4-oxyl-3,5-dinitropyrazolate moieties, they also possess good energy properties (v _D = 8238 ~ 9208 m s^?1, P = 26.8 ~ 36.7 GPa, V _o = 481.8 ~ 959.4 L kg^?1), which make them competitive high-energy materials.     

Some q-rung orthopair uncertain linguistic aggregation operators and their application to multiple attribute group decision making

q-Rung orthopair fuzzy sets (q-ROFSs), originally presented by Yager, are a powerful fuzzy information representation model, which generalize the classical intuitionistic fuzzy sets and Pythagorean fuzzy sets and provide more freedom and choice for decision makers (DMs) by allowing the sum of the $q\mathrm{t}\mathrm{h}$ power of the membership and the $q\mathrm{t}\mathrm{h}$ power of the nonmembership to be less than or equal to 1. In this paper, a new class of fuzzy sets called q-rung orthopair uncertain linguistic sets (q-ROULSs) based on the q-ROFSs and uncertain linguistic variables (ULVs) is proposed, and this can describe the qualitative assessment of DMs and provide them more freedom in reflecting their belief about allowable membership grades. On the basis of the proposed operational rules and comparison method of q-ROULSs, several q-rung orthopair uncertain linguistic aggregation operators are developed, including the q-rung orthopair uncertain linguistic weighted arithmetic average operator, the q-rung orthopair uncertain linguistic ordered weighted average operator, the q-rung orthopair uncertain linguistic hybrid weighted average operator, the q-rung orthopair uncertain linguistic weighted geometric average operator, the q-rung orthopair uncertain linguistic ordered weighted geometric operator, and the q-rung orthopair uncertain linguistic hybrid weighted geometric operator. Then, some desirable properties and special cases of these new operators are also investigated and studied, in particular, some existing intuitionistic fuzzy aggregation operators and Pythagorean fuzzy aggregation operators are proved to be special cases of these new operators. Furthermore, based on these proposed operators, we develop an approach to solve the multiple attribute group decision making problems, in which the evaluation information is expressed as q-rung orthopair ULVs. Finally, we provide several examples to illustrate the specific decision-making steps and explain the validity and feasibility of two methods by comparing with other methods.     

Plasmonic coupling-enhanced in situ photothermal nanoreactor with shape selective catalysis for C-C coupling reaction

Carbon-carbon (C-C) coupling reactions represent one of the most powerful tools for the synthesis of complex natural products, bioactive molecules developed as drugs and agrochemicals. In this work, a multifunctional nanoreactor for C-C coupling reaction was successfully fabricated via encapsulating the core-shell Cu@Ni nanocubes into ZIF-8 (Cu@Ni@ZIF-8). In this nanoreactor, Ni shell of the core-shell Cu@Ni nanocubes was the catalytical active center, and Cu core was in situ heating source for the catalyst by absorbing the visible light. Moreover, benefiting from the plasmonic resonance effect between Cu@Ni nanocubes encapsulated in ZIF-8, the absorption range of nanoreactor was widened and the utilization rate of visible light was enhanced. Most importantly, the microporous structure of ZIF-8 provided shape-selective of reactant. This composite was used for the highly shape-selective and stable photocatalysed C-C coupling reaction of boric acid under visible light irradiation. After five cycles, the nanoreactor still remained high catalytical activity. This Cu@Ni@ZIF-8 nanoreactor opens a way for photocatalytic C-C coupling reactions with shape-selectivity.

     

The influence of cryogenic rolling on a transformation-induced plasticity steel

ABSTRACT

Here, a novel cryogenic rolling plus intercritical annealing process was applied to a transformation-induced plasticity (TRIP) steel with a low chemical composition of carbon and manganese. Compared with traditional cold rolling, obvious grain refinement was observed, due to a high amount of dislocations retained. In addition, austenite volume fraction was increased, because of a unique nucleation mechanism. Subjected to cryogenic rolling, strength and ductility were increased, due to the enhanced austenite stability, which provided continuous and active TRIP effect. Consequently, tensile strength was increased to 1030?MPa, and elongation was increased to 38.2%. Thus, a great mechanical combination was obtained in a steel with a relatively low chemical composition with carbon and manganese, only by cryogenic rolling process.     

基于热力学的自然风压分析方法

从热力学的角度出发，考虑巷道热力因素对风流的影响，导出自然风压的计算方法。