Water environment carrying capacity (WECC) is an effective indicator that can help resolve the contradiction between social and economic development and water environment pollution. Considering the complexity of the water environment and socioeconomic systems in Northeast China, this study establishes an evaluation index system and a system dynamics (SD) model of WECC in Fushun City, Liaoning, China, through the combination of the fuzzy analytic hierarchy process and SD. In consideration of the uncertainty of the future development of society, the Monte Carlo and scenario analysis methods are used to simulate the WECC of Fushun City. Results show that if the current social development mode is maintained, then the WECC in Fushun will have a slow improvement in the future, and a “general” carrying state with a WECC index of 0.566 in 2025 will be developed. Moreover, focusing on economic development (Scheme 1 with a WECC index of [0.22, 0.45] in 2025) or environmental protection (Scheme 2 with a WECC index of [0.48, 0.68] in 2025) cannot effectively improve the local water environment. Only by combining the two coordinated development modes (Scheme 3) can WECC be significantly improved and achieve “general” or “good” carrying state with a WECC index of [0.59, 0.79]. An important development of this study is that the probability of each scheme’s realization can be calculated after different schemes are formulated. In turn, the feasibility of the scheme will be evaluated after knowing the probability, so as to determine the path suitable for local development. This is of great significance for future urban planning.
Developing highly efficient earth‐abundant alternatives to traditional noble metal catalysts is essential for clean and sustainable energy‐conversion and energy‐storage technologies, yet still challenging in limited active sites and weak resistance to electrochemical corrosion. Herein, density‐functional theory calculations demonstrate that hexagonal boron nitride (h‐BN), albeit often being considered inert, can generate boron‐active radicals at defective sites by forming heterogeneous structures with graphene‐containing point vacancies, leading to a substantial electron delocalization and charge transfer, indicating a superior catalytic activity. Experimentally, the van der Waals heterostructure is rationally designed with h‐BN nanosheets (BNNs) anchored on reduced graphene oxide (rGO) as strongly coupled composite catalysts. Despite the poor conductivity in BN and lower catalytic activity in rGO, the created heterostructures demonstrate unexpected, improved oxygen evolution reaction (OER) activity with excellent stability in alkaline electrolyte. Qualitative analysis of the valence band offset and theoretical calculation reveal that the formation of heterostructures can significantly drive the electron transfer between C and B atoms near the vacancies across the interface and cause a half‐metallic property of BN, decreasing the free energy barrier of four‐electron OER kinetics. Herein, the synthetic schemes of h‐BNNs are guided as highly active metal‐free OER electrocatalysts.
Integration of hexagonal boron nitride (h-BN) with plasmonic nanostructures that possess nanoscale field confinement will enable unusual properties; hence, the manipulation and understanding of the light interactions are highly desirable. Here, we demonstrate the surface plasmonic coupling of Au nanoparticles (ANPs) with ultrathin h-BN nanosheets (BNNS) in nonspecific nanocomposites leading to a great enhancement of the Raman signal of E2g in both experimental and theoretical manner. The nanocomposites were fabricated from liquid-exfoliated atomically thin BNNS and diblock copolymer-based ANPs with excellent dispersion through a self-assembly approach. By precisely varying the size of ANPs from 3 to 9 nm, the Raman signal of BNNS was improved from 1.7 to 71. In addition, the underlying mechanism has been explored from the aspects of electromagnetic field coupling strength between the localized surface plasmons excited from ANPs and the surrounding dielectric h-BN layers, as well as the charge transfer at the BNNS/ANPs interfaces. Moreover, we also demonstrate its capability to detect dye molecules as a surface enhanced Raman scattering (SERS) substrate. This work provides a basis for the self-assembly of BNNS hierarchical nanocomposites allowing for plasmon-mediated modulation of their optoelectronic properties, thereby showing the great potential not only in the field of SERS but also in large-scale h-BN-based plasmonic devices.
The construction of highly active earth-abundant electrocatalysts, which hold bifunctional oxygen reduction and evolution reactions simultaneously, is of great importance for inexpensive and high-performance electrochemical energy devices, yet still challenging. Here, we demonstrate that the inert hexagonal boron nitride (h-BN) can accommodate single atomic 3d transition metal (TM) sites by co-doping of carbon atoms as high-performance bifunctional electrocatalysts for oxygen evolution reaction (OER) and oxygen reduction reaction (ORR). The TM atoms including Fe, Co, and Ni have been anchored with either four or two substituting carbon atoms forming TM–C4–BN and TM–C2N2–BN structures, in which the latter exhibits higher structural stability and stronger adsorption in response to the oxygen-containing intermediates such as OH*, O*, and OOH* in the reaction pathways. The optimal OER/ORR bifunctional catalyst is determined to be Co–C2N2–BN, showing ηOER of 0.42 V and ηORR of 0.26 V. Especially, its excellent ORR catalytic activity can be compared to that of well-known Pt(111) surface. It exhibits high thermodynamic stability and most favorable binding strength toward OER/ORR intermediates. The density functional theory calculations of the charge transfer and redistribution reveal the origin of the excellent catalytic activity in Co–C2N2–BN. This work provides a promising and feasible solution in searching for high-performance non-precious bifunctional oxygen electrocatalysts.
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