Integration of B-to-B trade network models of structural evolution and monetary flows reproducing all major empirical laws.

We develop a single two-layered model framework that captures and replicates both the statistical properties of the network as well as those of the intrinsic quantities of the agents. Our model framework consists of two distinct yet connected elements that were previously only studied in isolation, namely methods related to temporal network structures and those associated with money transport flows. Within this context, the network structure emerges from the first layer and its topological structure is transferred to the second layer associated with the money transactions. In this manner, we can explain how the micro-level dynamics of the agents within the network lead to the exogenous manifestation of the aggregated system statistical data en-wrapping the very same agents within the system. This is done by capturing the essential dynamics of collective motion in complex networks that enable the simultaneous emergence of tent-shaped distributions in growth rates within the agents, together with the emergence of scaling properties within the network in the study. We can validate the model framework and dynamics by applying these to the context of the real-world inter-firm trading network of firms in Japan and comparing the results of the statistical distributions at both network and agent levels in a temporal manner. In particular, we compare our results to the fundamental quantities supporting the seven empirical laws observed in data: the degree distribution, the mean degree growth rate over time, the age distribution of the firms, the preferential attachment, the sales distribution in steady states, their growth rates, their scaling relations generated by the model. We find these results to be nearly identical to the real-world data. The framework has the potential to be transformed into a forecasting tool to support decision-makers on financial and prudential policies.

Direct modelling from GPS data reveals daily-activity-dependency of effective reproduction number in COVID-19 pandemic.

During the COVID-19 pandemic, governments faced difficulties in implementing mobility restriction measures, as no clear quantitative relationship between human mobility and infection spread in large cities is known. We developed a model that enables quantitative estimations of the infection risk for individual places and activities by using smartphone GPS data for the Tokyo metropolitan area. The effective reproduction number is directly calculated from the number of infectious social contacts defined by the square of the population density at each location. The difference in the infection rate of daily activities is considered, where the 'stay-out' activity, staying at someplace neither home nor workplace, is more than 28 times larger than other activities. Also, the contribution to the infection strongly depends on location. We imply that the effective reproduction number is sufficiently suppressed if the highest-risk locations or activities are restricted. We also discuss the effects of the Delta variant and vaccination.

Potential fields and fluctuation-dissipation relations derived from human flow in urban areas modeled by a network of electric circuits.

Owing to the big data the extension of physical laws on nonmaterial has seen numerous successes, and human mobility is one of the scientific frontier topics. Recent GPS technology has made it possible to trace detailed trajectories of millions of people, macroscopic approaches such as the gravity law for human flow between cities and microscopic approaches of individual origin-destination distributions are attracting much attention. However, we need a more general basic model with wide applicability to realize traffic forecasting and urban planning of metropolis fully utilizing the GPS data. Here, based on a novel idea of treating moving people as charged particles, we introduce a method to map macroscopic human flows into currents on an imaginary electric circuit defined over a metropolitan area. Conductance is found to be nearly proportional to the maximum current in each location and synchronized human flows in the morning and evening are well described by the temporal changes of electric potential. Surprisingly, the famous fluctuation-dissipation theorem holds, namely, the variances of currents are proportional to the conductivities akin to an ordinary material.

Direct conversion of lignin to high-quality graphene-based materials via catalytic carbonization.

Methods for effectively utilizing lignin are necessary for the realization of a sustainable society. Herein, we report a method for directly converting lignin to graphene-based materials. Fe-supported lignin is prepared by dissolving lignin in an aqueous FeCl2 solution, followed by freeze drying. Graphene is then produced by catalytically carbonizing this Fe-supported lignin at 1200 °C. The characteristics of both the Fe catalyst and lignin are crucial for the production of high-quality graphene. Specifically, the lignin should disperse well in water, freeze dry, and carbonize via solid-state carbonization. The obtained graphene-based material is highly resistant to electrochemical oxidation, as observed in other graphene-based materials. The direct conversion of lignin to graphene described herein is an unprecedented method for synthesizing large amounts of graphene-based material at low cost, as well as being an excellent use for lignin.

Synthesis of P- and N-doped carbon catalysts for the oxygen reduction reaction via controlled phosphoric acid treatment of folic acid.

Herein, we synthesized P- and N-doped carbon materials (PN-doped carbon materials) through controlled phosphoric acid treatment (CPAT) of folic acid (FA) and probed their ability to catalyze the oxygen reduction reaction (ORR) at the cathode of a fuel cell. Precursors obtained by heating FA in the presence of phosphoric acid at temperatures of 400-1000 °C were further annealed at 1000 °C to afford PN-doped carbon materials. The extent of precursor P doping was maximized at 700 °C, and the use of higher temperatures resulted in activation and increased porosity rather than in increased P content. The P/C atomic ratios of PN-doped carbon materials correlated well with those of the precursors, which indicated that CPAT is well suited for the preparation of PN-doped carbon materials. The carbon material prepared using a CPAT temperature of 700 °C exhibited the highest ORR activity and was shown to contain -C-PO2 and -C-PO3 moieties as the major P species and pyridinic N as the major N species. Moreover, no N-P bonds were detected. It was concluded that the presence of -C-PO2 and -C-PO3 units decreases the work function and thus raises the Fermi level above the standard O2/H2O reduction potential, which resulted in enhanced ORR activity. Finally, CPAT was concluded to be applicable to the synthesis of PN-doped carbon materials from N-containing organic compounds other than FA.

Warped graphitic layers generated by oxidation of fullerene extraction residue and its oxygen reduction catalytic activity.

Carbon-based oxygen reduction reaction (ORR) catalysts are regarded as a promising candidate to replace the currently used Pt catalyst in polymer electrolyte fuel cells (PEFCs); however, the active sites remain under discussion. We predicted that warped graphitic layers (WGLs) are responsible for the ORR catalytic activity in some carbon catalysts (i.e., carbon alloy catalysts (CACs)). To prove our assumption, we needed to use WGLs consisting of carbon materials, but without any extrinsic catalytic elements, such as nitrogen, iron, or cobalt, which effectively enhance ORR activity. The present study employed a fullerene extraction residue as a starting material to construct WGLs. The oxidation of the material at 600 °C exposed the WGLs by removing the surrounding amorphous moieties. Transmission electron microscopy (TEM) observations revealed the formation of WGLs by oxidation treatment at 600 °C in an O2/N2 stream. Extending the oxidation time increased the purity of the WGL phase, but also simultaneously increased the concentration of oxygen-containing surface functional groups as monitored by temperature programmed desorption (TPD). The specific ORR activity increased with oxidation up to 1 h and then decreased with the intensive oxidation treatment. Correlations between the specific ORR activity and other parameters confirmed that the development of the WGL and the increase in the O/C ratio are the competing factors determining specific ORR activity. These results explain the maximum specific ORR activity after 1 h of oxidation time. WGLs were found to lower the heat of adsorption for O2 and to increase the occurrence of heterogeneous electron transfer.

Critical advancements in achieving high power and stable nonprecious metal catalyst-based MEAs for real-world proton exchange membrane fuel cell applications.

Despite great progress in the development of nonprecious metal catalysts (NPMCs) over the past several decades, the performance and stability of these promising catalysts have not yet achieved commercial readiness for proton exchange membrane fuel cells (PEMFCs). Through rational design of the cathode catalyst layer (CCL), we demonstrate the highest reported performance for an NPMC-based membrane electrode assembly (MEA), achieving a peak power of 570 mW/cm2 under air. This record performance is achieved using a precommercial catalyst for which nearly all pores are <3 nm in diameter, challenging previous beliefs regarding the need for larger catalyst pores to achieve high current densities. This advance is achieved at industrially relevant scales (50 cm2 MEA) using a precommercial NPMC. In situ electrochemical analysis of the CCLs is also used to help gain insight into the degradation mechanism observed during galvanostatic testing. Overall, the performance of this NPMC-based MEA has achieved commercial readiness and will be introduced into an NPMC-based product for portable power applications.

Single-Step Synthesis of W2C Nanoparticle-Dispersed Carbon Electrocatalysts for Hydrogen Evolution Reactions Utilizing Phosphate Groups on Carbon Edge Sites.

A novel, one-step protocol for the selective synthesis of W2C nanoparticles from phosphotungstic acid (H3PW12O40), a low-cost and commercially available tungsten compound, was developed. The nanoparticles had diameters of 1-50 nm and were dispersed on a carbon substrate. The W2C nanoparticles were prepared by a simple operation sequence, involving impregnation of carbon black with H3PW12O40 followed by calcination at 1000 °C. X-ray diffraction study revealed the selective formation of the W2C phase in the samples prepared, whereas the tungsten carbide (WC) phase was present in the control prepared from H2WO4. Stable W2C nanoparticles were obtained using this method owing to the presence of phosphate at the interfaces between the W2C nanoparticles and the carbon substrates, which inhibited the diffusion of carbon atoms from the carbon substrates to the W2C nanoparticles, leading to the formation of WC. The W2C nanoparticles prepared showed an excellent catalytic activity for the hydrogen evolution reaction (HER), with low Tafel slopes of ∼50 mV/decade. The HER catalytic activity was notably high, being comparable to that of MoS2, which is a promising alternative to Pt. The present method can potentially be applied to produce highly effective, low-cost, Pt-free electrocatalysts for the HER.

Pt-free cathode catalysts prepared via multi-step pyrolysis of Fe phthalocyanine and phenolic resin for fuel cells.

Pt-free cathode catalysts for polymer electrolyte membrane fuel cells have been prepared by multi-step pyrolysis of FePc and PhRs, in the best of which show extensively high initial cell performance and good durability compared to other present precious-metal-free cathode catalysts to date.