In the new era of internet of things, big data collection and analysis based on widely distributed intelligent sensing technology is particularly important. Here, we report a flexible and durable wood-based triboelectric nanogenerator for self-powered sensing in athletic big data analytics. Based on a simple and effective strategy, natural wood can be converted into a high-performance triboelectric material with excellent mechanical properties, such as 7.5-fold enhancement in strength, superior flexibility, wear resistance and processability. The electrical output performance is also enhanced by more than 70% compared with natural wood. A self-powered falling point distribution statistical system and an edge ball judgement system are further developed to provide training guidance and real-time competition assistance for both athletes and referees. This work can not only expand the application area of the self-powered system to smart sport monitoring and assisting, but also promote the development of big data analytics in intelligent sports industry.

Triboelectric nanogenerator (TENG) is an emerging approach for harvesting energy from the living environment. But its performance is limited by the maximum density of surface charges created by contact electrification. Here, by rationally designing a synchronous rotation structure, a charge pumping strategy is realized for the first time in a rotary sliding TENGs, which is demonstrated to enhance the charge density by a factor of 9, setting up a record for rotary TENGs. The average power is boosted by more than 15 times compared with normal TENGs, achieving an ultrahigh average power density of 1.66 kW m−3, under a low drive frequency of 2 Hz. Moreover, the charge pumping mechanism enables decoupling of bound charge generation and the severity of interfacial friction in the main TENG, allowing surface lubricants to be applied for suppressing abrasion and lowering heat generation. The adaptability of the strategy to rotation and sliding type TENGs in low‐frequency agitations provides a breakthrough to the bottleneck of power output for mechanical energy harvesting, and should have a great impact on high‐power TENG design and practical applications in various fields.

Recently, atmospheric pollution caused by particulate matter or volatile organic compounds (VOCs) has become a serious issue to threaten human health. Consequently, it is highly desirable to develop an efficient purifying technique with simple structure and low cost. In this study, by combining a triboelectric nanogenerator (TENG) and a photocatalysis technique, we demonstrated a concept of a self-powered filtering method for removing pollutants from indoor atmosphere. The photocatalyst P25 or Pt/P25 was embedded on the surface of polymer-coated stainless steel wires, and such steel wires were woven into a filtering network. A strong electric field can be induced on this filtering network by TENG, while both electrostatic adsorption effect and TENG-enhanced photocatalytic effect can be achieved. Rhodamine B (RhB) steam was selected as the pollutant for demonstration. The absorbed RhB on the filter network with TENG in 1 min was almost the same amount of absorption achieved in 15 min without using TENG. Meanwhile, the degradation of RhB was increased over 50% under the drive of TENG. Furthermore, such a device was applied for the degradation of formaldehyde, where degradation efficiency was doubled under the drive of TENG. This work extended the application for the TENG in self-powered electrochemistry, design and concept of which can be possibly applied in the field of haze governance, indoor air cleaning, and photocatalytic pollution removal for environmental protection.

We present for the first time an exact quantum study of spin-orbit-induced intersystem crossing effects in the title reaction. The time-dependent wave-packet method, combined with an extended split operator scheme, is used to calculate the fine-structure resolved cross section. The calculation involves four electronic potential-energy surfaces of the 1 AЈ state ͓J. Dobbyn and P. J. Knowles, Faraday Discuss. 110, 247 ͑1998͔͒, the 3 AЈ and the two degenerate 3 AЉ states ͓S. Rogers, D. Wang, A. Kuppermann, and S. Wald, J. Phys. Chem. A 104, 2308 ͑2000͔͒, and the spin-orbit couplings between them ͓B. Maiti, and G. C. Schatz, J. Chem. Phys. 119, 12360 ͑2003͔͒. Our quantum dynamics calculations clearly demonstrate that the spin-orbit coupling between the triplet states of different symmetries has the greatest contribution to the intersystem crossing, whereas the singlet-triplet coupling is not an important effect. A branch ratio of the spin state ⌸ 3/2 to ⌸ 1/2 of the product OH was calculated to be ϳ2.75, with collision energy higher than 0.6 eV, when the wave packet was initially on the triplet surfaces. The quantum calculation agrees quantitatively with the previous quasiclassical trajectory surface hopping study.

Classical trajectory calculations for the O( 1 D) ϩ H 2 reaction system are employed to assess the effectiveness of the symplectic integrators. The sixth-order symplectic integrator has been found to be the most suitable method for the quasiclassical trajectory calculation of a long-lived complex-forming reaction system. In comparison with the traditional fourth-order Runge-Kutta initialized fourth-order Admas-Moulton-Hamming predictor-corrector integrator (RK4-AMH4), the sixth-order symplectic integrator is six times less computationally expensive and exhibits better energy conservation.

In this paper we present a time-dependent quantum wave packet calculation for the reaction of F(2P3/2,2P1/2)+H2 on the Alexander–Stark–Werner potential energy surface. The reaction probabilities and the integral cross sections for the reaction of F(2P3/2,2P1/2)+H2 (v=j=0) are computed using time-dependent quantum methods with the centrifugal sudden approximate. The results are compared with recent time-independent quantum calculations. The two-surface reaction probability for the initial ground spin–orbit state of J=0.5 is similar to the time-independent result obtained by Alexander et al. [J. Chem. Phys. 113, 11084 (2000)]. Our calculation also shows that electronic coupling has a relatively minor effect on the reactivity from the P3/22 state but a non-negligible one from the P1/22 state. By comparison with exact time-independent calculations, it is found that the Coriolis coupling plays a relatively minor role. In addition, most of the reactivity of the excited state of fluorine atom results from the spin–orbit coupling.

A nonadiabatic quantum dynamics calculation involving four coupled potential energy surfaces (two degenerate 3A' ', one 3A', and one 1A') and the spin-orbit coupling matrix for these states is reported for the title reaction. The results show that the important discrepancy between theoretically calculated and experimentally measured intramolecular isotope effects can at least in part be attributed to significant nonadiabatic effects.

In this review article, we present a systematic comparison of the theoretical rate constants for a range of bimolecular reactions that are calculated by using three different classes of theoretical methods: quantum dynamics (QD), quasi-classical trajectory (QCT), and transition state theory (TST) approaches. The study shows that the difference of rate constants between TST results and those of the global dynamics methods (QD and QCT) are seen to be related to a number of factors including the number of degrees-of-freedom (DOF), the density of states at transition state (TS), etc. For reactions with more DOF and higher density of states at the TS, it is found that the rate constants from TST calculations are systematically higher than those obtained from global dynamics calculations, indicating large recrossing effect for these systems. The physical insight of this phenomenon is elucidated in the present review.