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Quantum Tunneling Enhanced Hydrogen Desorption from Graphene Surface: Atomic versus Molecular Mechanism

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Chinese Physics Letters 2024年第8期41卷 58-68页

作者： Yangwu Tong Yong Yang science Island Branch of graduate school University of Science and Technology of ChinaHefei 230026China Key Lab of Photovoltaic and Energy Conservation Materials Institute of Solid State PhysicsHFIPSChinese Academy of SciencesHefei 230031China

We study the desorption mechanism of hydrogen isotopes from graphene surface using first-principles calculations,with focus on the effects of quantum *** low temperatures,quantum tunneling plays a dominant role in the desorption process of both hydrogen monomers and *** the case of dimer desorption,two types of mechanisms,namely the traditional one-step desorption in the form of molecules(molecular mechanism),and the two-step desorption in the form of individual atoms(atomic mechanism),are studied and *** the ortho-dimers,the dominant desorption mechanism is found to switch from the molecular mechanism to the atomic mechanism above a critical temperature,which is∼300K and 200K for H and D,respectively.

关键词： desorption quantum mechanism

Occupational physical activity, all-cause, cardiovascular disease, and cancer mortality in 349,248 adults: Prospective and longitudinal analyses of the MJ Cohort

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Journal of Sport and Health science 2024年第4期13卷 579-589页

作者： Emmanuel Stamatakis Matthew N.Ahmadi Tiana-Lee Elphick Bo-Huei Huang Susan Paudel Armando Teixeira-Pinto Li-Jung Chen Borja del Pozo Cruz Yun-Ju Lai Andreas Holtermann Po-Wen Ku Sydney school of Health sciences Faculty of Medicine and HealthCharles Perkins CentreUniversity of SydneySydneyNSW 2006Australia Sydney school of Public Health Faculty of Medicine and HealthUniversity of SydneySydneyNSW 2006Australia Department of Exercise Health science “National”Taiwan University of SportTaichung 40404China Department of sports science and Clinical Biomechanics University of Southern DenmarkOdense 5230Denmark Division of Endocrinology and Metabolism Department of Internal MedicinePuli Branch of Taichung Veterans General HospitalNantou 54552China National Research Centre for the Working Environment Copenhagen 2100Denmark graduate Institute of sports and Health Management “National”Chung Hsing UniversityTaichung 40227China

Background:Evidence on the health benefits of occupational physical activity(OPA)is *** examined the associations of baseline OPA and OPA changes with all-cause,cardiovascular disease(CVD),and cancer mortality and survival ***:This study included prospective and longitudinal data from the MJ Cohort,comprising adults over 18 years recruited in 1998-2016,349,248 adults(177,314 women)with baseline OPA,of whom 105,715(52,503 women)had 2 OPA measures at 6.3±4.2 years(mean±SD)*** were baseline OPA,OPA changes,and baseline leisure-time physical ***:Over a mean mortality follow-up of 16.2±5.5 years for men and 16.4±5.4 years for women,11,696 deaths(2033 of CVD and 4631 of cancer causes)in men and 8980 deaths(1475 of CVD and 3689 of cancer causes)in women *** moderately heavy/heavy baseline OPA was beneficially associated with all-cause mortality in men(multivariable-adjusted hazard ratio(HR)=0.93,95%confidence interval(95%CI):0.89-0.98 compared to light OPA)and women(HR=0.86,95%CI:0.79-0.93).Over a mean mortality follow-up of 12.5±4.6 years for men and 12.6±4.6 years for women,OPA decreases in men were detrimentally associated(HR=1.16,95%CI:1.01-1.33)with all-cause mortality,while OPA increases in women were beneficially(HR=0.83,95%CI:0.70-0.97)associated with the same *** or changes in OPA showed no associations with CVD or cancer ***:Higher baseline OPA was beneficially associated with all-cause mortality risk in both men and *** longitudinal OPA analyses partly confirmed the prospective findings,with some discordance between sex groups.

关键词： Cancer Cardiovascular disease Epidemiology Mortality

Controlling Three-Step and Five-Step Spin Transitions by Polymorphism in an Fe^(Ⅲ) Spin Crossover Complex

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Chinese Journal of Chemistry 2024年第8期42卷 879-886页

作者： Yingying Wu Shuang Peng Ziyi Zhang Yue Gao Guangyan Xu Jingwei Dai Zhao-Yang Li Masahiro Yamashita school of Materials science and Engineering Nankai University38 Tongyan RoadHaihe Educational ParkTianjin300350 China State Key Laboratory of Medicinal Chemical Biology Nankai UniversityTianjin300071 China Department of Chemistry Graduate School of ScienceTohoku UniversitySendai980-8578 Japan

Comprehensive Summary,Regulating spin crossover(SCO)behavior,especially controlling the spin transition steps,is an important scientific issue,mainly because people aim to control spin bistability and ***,SCO bistability can be regulated by changing the ligand-modifying species,non-coordinated anions,guest molecules,and metal-ion ***,the control of multistability is extremely challenging,especially in Fe(III)SCO ***,we report that[FeIII(H-5-Br-thsa)(5-Br-thsa)]·H2O(5-Br-thsa=(5-bromo-2-hydroxybenzylidene)hydrazinecarbothioamide),a compound we have reported before,exists in two polymorphic forms:polymorph 1 exhibits three-step SCO,and polymorph 2 shows five-step SCO,with multi-step SCO behavior effectively regulated by *** to single-crystal and powder X-ray diffractometry,polymorphs 1 and 2 crystallize in different space groups during their spin transitions,with two-step symmetry breaking observed(Pbcn→Pnc2→Pbcn for polymorph 1;P21/n→Pn→P21/n for polymorph 2).We realized that the behavior of these two polymorphs depends significantly on the structure,including(i)the average Fe—N bond distance,(ii)deformation of octahedral FeIII atoms,and(iii)distinct crystal packing,which account for the large differences observed in magnetic properties.

关键词： Spin crossover Multi-step spin transition Symmetry breaking Polymorphism Magnetic property

N-doped graphene quantum dot-decorated N-TiO2/P-doped porous hollow g-C_(3)N_(4) nanotube composite photocatalysts for antibiotic photodegradation and H2 production

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International Journal of Minerals,Metallurgy and Materials 2024年第1期31卷 165-178页

作者： Jingshu Yuan Yao Zhang Xiaoyan Zhang Junjie Zhang Shen’gen Zhang Institute for Advanced Materials and Technology University of Science and Technology BeijingBeijing 100083China Xi’an Fanyi University Xi’an 710105China Shunde graduate school of University of science and Technology Beijing Foshan 528399China State Key Laboratory of Lunar and Planetary sciences Macao University of Science and TechnologyMacao SAR 820000China

Exclusive responsiveness to ultraviolet light (~3.2 eV) and high photogenerated charge recombination rate are the two primary drawbacks of pure TiO_(2). We combined N-doped graphene quantum dots (N-GQDs), morphology regulation, and heterojunction construction strategies to synthesize N-GQD/N-doped TiO_(2)/P-doped porous hollow g-C_(3)N_(4) nanotube (PCN) composite photocatalysts (denoted as G-TPCN). The optimal sample (G-TPCN doped with 0.1wt% N-GQD, denoted as 0.1% G-TPCN) exhibits significantly enhanced photoabsorption, which is attributed to the change in bandgap caused by elemental doping (P and N), the improved light-harvesting resulting from the tube structure, and the upconversion effect of N-GQDs. In addition, the internal charge separation and transfer capability of0.1% G-TPCN are dramatically boosted, and its carrier concentration is 3.7, 2.3, and 1.9 times that of N-TiO_(2), PCN, and N-TiO_(2)/PCN(TPCN-1), respectively. This phenomenon is attributed to the formation of Z-scheme heterojunction between N-TiO_(2) and PCNs, the excellent electron conduction ability of N-GQDs, and the short transfer distance caused by the porous nanotube structure. Compared with those of N-TiO_(2), PCNs, and TPCN-1, the H2 production activity of 0.1%G-TPCN under visible light is enhanced by 12.4, 2.3, and 1.4times, respectively, and its ciprofloxacin (CIP) degradation rate is increased by 7.9, 5.7, and 2.9 times, respectively. The optimized performance benefits from excellent photoresponsiveness and improved carrier separation and migration efficiencies. Finally, the photocatalytic mechanism of 0.1% G-TPCN and five possible degradation pathways of CIP are proposed. This study clarifies the mechanism of multiple modification strategies to synergistically improve the photocatalytic performance of 0.1% G-TPCN and provides a potential strategy for rationally designing novel photocatalysts for environmental remediation and solar energy conversion.

关键词： N-doped TiO_(2) N-doped graphene quantum dots P-doped g-C_(3)N_(4) porous hollow nanotube heterojunction photocatalysis

Recent progress about transmission electron microscopy characterizations on lithium-ion batteries

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Journal of Energy Chemistry 2024年第8期95卷 39-56,I0002页

作者： Yihang Liu Qiuyun Li Ziqiang Wang Institute of Materials Research Shenzhen International Graduate SchoolTsinghua UniversityShenzhen 518000GuangdongChina

With the rapid development of portable electronics,new energy vehicles,and smart grids,ion batteries are becoming one of the most widely used energy storage devices,while the safety concern of ion batteries has always been an urgent problem to be *** develop a safety-guaranteed battery,the characterization of the internal structure is indispensable,where electron microscopy plays a crucial *** on this,this paper summarizes the application of transmission electron microscopy(TEM)in battery safety,further concludes and analyzes the aspects of dendrite growth and solid electrolyte interface(SEI)formation that affect the safety of ion batteries,and emphasizes the importance of electron microscopy in battery safety research and the potential of these techniques to promote the future development of this *** advanced electron microscopy techniques and their prospects are also discussed.

关键词： Electron microscopy characterizations Lithium-ion batteries Dendrites SEI

Participatory Risk Governance for Seoul, South Korea's Flood Risk Management

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International Journal of Disaster Risk science 2024年第3期15卷 317-331页

作者： Bokjin Ro Gregg Garfin school of Geography Development and Environment The University of Arizona Interdisciplinary Program for Disaster Crisis and Risk Management Sungkyunkwan University school of natural Resources and the Environment The University of Arizona

Risk governance is a widely used framework in natural and societal risk management research. Risks from natural hazards in urban areas call for the establishment of rigorous and participatory urban risk governance. In this study, we examined participatory risk governance(PRG) of flood risk management(FRM) in Seoul, South Korea. We conducted key informant interviews and implemented a survey with citizens, to explore perceptions of flood risks and risk management, and to examine prospects for improving PRG in Seoul. We found a gap between the perceptions of key informants and *** informants believed that citizens' low awareness of flood risks hinders PRG. Yet our research found that citizens' risk awareness was not low, and risk awareness may not be the main barrier to participation in PRG. Instead, we found that citizens lacked knowledge of FRM actions, and they assigned government bodies a high level of responsibility for FRM,compared to the level of responsibility that citizens assigned to themselves. Moreover, the actors involved in FRM tended not to trust each other, which implies a lack of mutual understanding. To increase the eff ectiveness of PRG, we suggest a polycentric governance structure anchored by a leading actor group, and active promotion of the participation of actors at multiple levels of governance. Communication between government and citizen participants, designed to foster improved understanding and recognition of one another's roles and contributions to FRM, will enhance trust and improve the implementation of PRG in Seoul.

关键词： Citizen participation Flood risk management Participatory risk governance Risk awareness South Korea Urban flood risk

Thermally activated delayed fluorescence carbazole-triazine dendrimer with bulky substituents

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Aggregate

Aggregate 2024年第1期5卷 236-243页

作者： Hiroki Ikebe Kohei Nakao Eri Hisamura Minori Furukori Yasuo Nakayama Takuya Hosokai Minlang Yang Guanting Liu Takuma Yasuda Ken Albrecht Interdisciplinary graduate school of Engineering sciences Kyushu UniversityFukuokaJapan Institute for Materials Chemistry and Engineering Kyushu UniversityKasugaJapan Department of Pure and Applied Chemistry Graduate School of Science and TechnologyTokyo University of ScienceNodaChibaJapan National Metrology Institute of Japan(NMIJ) National Institute of Advanced Industrial Science and Technology(AIST)TsukubaIbarakiJapan Institute for Advanced Study Kyushu UniversityNishi-kuFukuokaJapan

Carbazole-triazine dendrimers with a bulky terminal substituent were synthesized,and the thermally activated delayed fluorescence(TADF)property was *** to unsubstituted carbazole dendrimers,dendrimers with bulky terminal substituents showed comparable to better photoluminescence quantum yields(PLQY)in neat ***(PF)-substituted dendrimers showed the highest PLQY of 81%,a smallΔEst of 0.06 eV,and the fastest reverse intersystem crossing(RISC)rate of∼1×10^(5 )s^(−1) compared to other *** measurements of dendrimers and dendrons(fragments)indicate that the close proximity of the triplet energy of phenylfluorene-substituted carbazole dendrons(^(3)LE)to that of phenylfluorene-substituted dendrimers(^(1)CT,^(3)CT)contributes to RISC promotion and improves TADF *** modification fine-tunes the energy level and suppresses intermolecular interactions,and this study provides a guideline for designing efficient solution-processable and non-doped TADF materials.

关键词： dendrimer OLED TADF 1 INTRODUCTION Thermally activated delayed fluorescence(TADF)materials which are inexpensive and highly efficient alternatives to fluorescent

On equivalence of state-based potential games

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science China(Information sciences) 2024年第6期67卷 313-327页

作者： Han WU Jinhuan WANG Institute of Mathematics School of ScienceHebei University of Technology

In this paper, we explore state-based potential games using the semi-tensor product of ***, applying the potential equation, we derive both a necessary and sufficient condition as well as a sufficient condition to verify whether a state-based game qualifies as a potential game. Next, we present two static equivalence conditions of state-based potential games. We then delve into dynamic equivalence. We propose a criterion that allows us to identify state-based games that are dynamically equivalent to state-based potential games and share similar dynamic properties. Ultimately, we introduce the concept of state-based networked evolutionary games. We provide a necessary and sufficient condition to ensure that a state-based networked evolutionary game can be classified as a state-based potential game.

关键词： semi-tensor product of matrices state-based potential game verification equivalence state-based networked evolutionary game

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Nonreciprocal transport in the superconducting state of the chiral crystal NbGe_(2)

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Chinese Physics B 2024年第5期33卷 161-165页

作者：刘永来许锡童何苗赵海天曾庆祺杨星宇邹优鸣杜海峰屈哲 Anhui Key Laboratory of Low-Energy Quantum Materials and Devices CAS Key Laboratory of Photovoltaic and Energy Conservation MaterialsHigh Magnetic Field Laboratory of Chinese Academy of Sciences(CHMFL)HFIPSCAS science Island Branch of graduate school University of Science and Technology of China

Due to the lack of inversion,mirror or other roto-inversion symmetries,chiral crystals possess a well-defined handedness which,when combined with time-reversal symmetry breaking from the application of magnetic fields,can give rise to directional dichroism of the electrical transport phenomena via the magnetochiral *** this study,we investigate the nonreciprocal magneto-transport in microdevices of NbGe_(2),a superconductor with structural chirality.A giant nonreciprocal signal from vortex motions is observed during the superconducting transition,with the ratio of nonreciprocal resistance to the normal resistanceγreaching 6×10^(5)T^(-1)·A^(-1).Interestingly,the intensity can be adjusted and even sign-reversed by varying the current,the temperature,and the crystalline *** findings illustrate intricate vortex dynamics and offer ways of manipulation on the rectification effect in superconductors with structural chirality.

关键词： chiral crystals magnetochiral anisotropy superconducting vortex nonreciprocal transport