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Theoretical Study on Photoinduced Triplet Electron Transfer at the Interface of Pd-Octaethylporphyrin and Tungsten Disulfide

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Chinese Journal of Chemical Physics 2025年第1期38卷 113-124,I0050-I0054,I0057页

作者： Yang Zhang Wen-Qi Zhao Wen-Kai Chen xiao-ying xie Wei-Hai Fang Ganglong Cui Key Laboratory of Theoretical and Computational Photochemistry Ministry of EducationCollege of ChemistryBeijing Normal UniversityBeijing 100875China College of Chemistry and Materials Science Hebei Normal UniversityShijiazhuang 050024China School of Chemistry and Chemical Engineering Yantai UniversityYantai 264005China

Heterostructures of organic semi-conductors and transition metal dichalcogenides(TMDs)are viable candidates for superior optoelec-tronic *** inter-facial charge transfer is crucial for the performance efficiency of such devices,yet the underlying mecha-nism,especially the roles of optical-ly dark triplets and spatially sepa-rated charge transfer states,is poorly *** the present work,we obtain the struc-tures of distinct excited states and investigate how they are involved in the charge transfer process at the Pd-octaethylporphyrin(PdOEP)and WS_(2) interface in terms of their energies and *** results show that electron transfer from the triplet PdOEP formed via intersystem crossing prevails over direct electron transfer from the singlet(two orders of magnitude faster).Further analysis reveals that the relatively higher rate of triplet electron transfer compared to singlet electron transfer is mainly attributed to a smaller reorganization energy,which is dominated by the out-of-plane vibrations of the organic *** work emphasizes the important roles of the optically dark triplets in the electron transfer of the PdOEP@WS_(2) heterostructure,and provides valuable theoretical insights for further improv-ing the optoelectronic performance of TMD-based devices.

关键词： Interfacial charge transfer Photoinduced carrier dynamics Theoretical study Pd-octaethylporphyrin Triplet electron transfer Tungsten disulfide

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Effects of Ru on microstructure stability and mechanical properties of Ni3Al single crystal alloy

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Progress in Natural Science:Materials International 2011年第4期21卷 286-292页

作者： Shu-suo LI,xiao-ying xie,Li-wu JIANG,Ya-fang HAN School of Materials Science and Engineering,Beihang University,Beijing 100191,China School of Materials Science and Engineering Beihang University Beijing 100191 China

The effect of Ru on microstructure stability and stress rupture properties of a Ni3Al single-crystal alloy was investigated. The experimental results showed that the addition of 2%Ru(mass fraction) improved the microstructure stability due to the restraint of harmful Y-NiMo phase formation during the thermal exposure at the high temperature above 1 000℃.And the reason may be that the addition of Ru increased the degree of Mo supersaturation in bothγandγ’ phases,and hence suppressed the precipitation of Y-NiMo *** results of stress rupture tests under the testing condition of 1100℃,120 MPa showed that the addition of 2% Ru in the alloy improved the stress rupture lives significantly for thermal exposed *** improvement of the stress rupture properties may be attributed to the restraint of Y-NiMo phase precipitation and growth by the addition of the proper amount Ru.

关键词： Ni3Al microstructure stability Ru Y-NiMo phase stress rupture

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Observation of topological charge transformations in acoustic vortex using passive periodic systems

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Science China(Physics,Mechanics & Astronomy) 2025年第1期68卷 136-143页

作者： Di-Chao Chen xie Liu Changqing Xu Da-Jian Wu ying Cheng xiao-Jun Liu School of Physics and Technology Nanjing Normal UniversityNanjing 210023China Key Laboratory of Modern Acoustics School of PhysicsNanjing UniversityNanjing 210093China

Vortex transmutation utilizes a periodic system,which not only enables the alteration of the topological charge(TC)of unstable input vortices but also facilitates their transformation into stable *** approach is crucial for investigating the characteristics of vortices in various wave ***,we achieve acoustic vortex TC transmutation by employing a welldesigned dual-structured plate external system(DPES).The interactions between the acoustic vortex and the finite-order discrete rotational symmetry lead to the transformation of its topological charge when complete rotational symmetry is broken to Nthorder discrete *** results experimentally demonstrate the acoustic vortex TC transmutation based on passive artificial structures,enabling numerous applications in particle manipulation and information multiplexing as well as advancing our understanding and control over free-space acoustic vortices.

关键词： acoustic vortex topological charge transformation artificial structure

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Clostridium perfringens infection after transarterial chemoembolization for large hepatocellular carcinoma

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World Journal of Gastroenterology 2015年第14期21卷 4397-4401页

作者： Jing-Huan Li Rong-Rong Yao Hu-Jia Shen Lan Zhang xiao-ying xie Rong-Xin Chen Yan-Hong Wang Zheng-Gang Ren Liver Cancer Institute Zhongshan HospitalFudan University

We report an unusual case of Clostridium perfringens liver abscess formation after transcatheter arterialchemoembolization(TACE) for large hepatocellular *** deterioration in liver and renal function accompanied with hemocytolysis was found on the 2nd day after *** culture found Clostridium perfringens and abdominal computed tomography revealed a gas-containing abscess in the *** antibiotics administration and support care, the infection was controlled and the liver and renal function turned *** 2nd TACE procedure was performed 1.5 mo later and no recurrent Clostridium perfringens infection was found.

关键词： Transcatheter arterial chemoembolization Hepatocel

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Boosted solar water oxidation steered by atomically precise alloy nanocluster

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Chinese Chemical Letters 2025年第1期36卷 349-354页

作者： Xian Yan Huawei xie Gao Wu Fang-Xing xiao College of Materials Science and Engineering Fuzhou University(New Campus)Minhou 350108China Department of Forensic Science The Engineering Research CenterFujian Police CollegeFuzhou 350002China State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of MatterChinese Academy of SciencesFuzhou 350002China

Atomically precise metal nanoclusters(NCs)have been deemed as a new generation of metal nanomaterials in the field of solar energy conversion due to their unique atomic stacking manner,quantum confinement effects,light-harvesting capability and multitude of active ***,wide-spread application of monometallic NCs is blocked by the ultrashort carrier lifespan,uncontrollable charge transport pathway,and light-induced poor stability,impeding the construction of robust and stable metal NC-based ***,we report the fabrication of stable alloy(Au_(1-x)Pt_(x))NCs photosystem,for which tailor-made negatively charged l-glutathione(GSH)-capped Au_(1-x)Pt_(x)NCs as the building blocks are controllably deposited on the Bi VO_(4)(BVO)by a self-assembly approach for steering enhanced light absorption and interfacial charge transfer over alloy NCs-based photoanodes(Au_(1-x)Pt_(x)/BVO).The self-assembled Au_(1-x)Pt_(x)/BVO composite photoanode exhibits the significantly enhanced photoelectrochemical water oxidation performances compared with pristine BVO and Au_(x)/BVO photoanodes,which is caused by the Pt atom doping into the Au_(x)NCs for elevating photosensitivity and boosting the *** synergy of Au and Pt atoms in alloy NCs protects the gold core from rapid oxidation,improving the photostability and accelerating the surface charge transfer *** work would significantly inspire ongoing interest in unlocking the charge transport characteristics of atomically precise alloy NCs for solar energy conversion.

关键词： Alloy nanoclusters Self-assembly Charge transport Photoanodes Photoelectrochemical water oxidation

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Treatment of radiation-induced hemorrhagic gastritis with prednisolone:A case report

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World Journal of Gastroenterology 2012年第48期18卷 7402-7404页

作者： Lan Zhang xiao-ying xie Yan Wang Yan-Hong Wang Yi Chen Zheng-Gang Ren Liver Cancer Institute Zhongshan HospitalFudan University Key Laboratory of Carcinogenesis and Cancer Invasion Ministry of EducationFudan University

Radiation-induced gastritis is an infrequent cause of gastrointestinal *** is a serious complication arising from radiation therapy,and the standard treatment method has not been *** initial injury is characteristically acute inflammation of gastric *** presented a 46-year-old male patient with hemorrhagic gastritis induced by external radiotherapy for metastatic retroperitoneal lymph node of hepatocellular *** endoscopic examination showed diffuse edematous hyperemicmucosa with telangiectasias in the whole muscosa of the stomach and duodenal *** hemorrhagic patches with active oozing were found over the ***-secretary therapy was initiated for hemostasis,but melena still occurred off and ***,he was successfully treated by prednisolone *** therefore strongly argue in favor of perdnisolone therapy to effectively treat patients with radiation-induced hemorrhagic gastritis.

关键词： Hemorrhagic gastritis Radiation Prednisolone Hepatocellular carcinoma Gastrointestinal bleeding

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Rice Yield and Water Use as Affected by Soil Management Practices

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Pedosphere 2004年第3期14卷 331-337页

作者： WANGxiao-ying[ xieHong-Tu LIANGWen-Ju WENDa-Zhong KeyLaboratoryofTerrestrialEcologicalProcess InstituteofAppliedEcolo9yChineseAcademyofSciencesShenyang110016（China） GraduateSchooloftheChineseAcademyofSciences Beijing100039（China）

A field experiment was conducted at the Shenyang Experimental Station ofEcology, Chinese Academy of Sciences, to study the effects of soil management practices on water useand rice (Oryza sativa L.) yield in an aquic brown soil during 2001 and 2002. A completely randomexperimental design with three replications was employed, having four soil management practices astreatments, namely: an undisturbed plow layer (CK), a thin plastic film (TN), a thick plastic film(TI) and subsoil compacting (CP). Results indicated no significant differences among all treatmentsfor rice biomass and grain yields. Also, water consumption was about the same for treatments TN andCK, however the treatments TI and CP were much lower with more than 45% and 40% of the irrigationwater in the treatments TI and CP, respectively, saved each year compared to CK. Therefore, wateruse efficiency was higher in the treatments TI and CP. These results will provide a scientific basisfor the water-saving rice cultivation.

关键词： evapotranspiration percolation rice soil management water use efficiency

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DFT Study on Reaction Mechanism of Nitric Oxide to Ammonia and Water on Hydroxylated Rutile TiO2（110） Surfaces

DFT Study on Reaction Mechanism of Nitric Oxide to Ammonia a...

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第十三届全国量子化学会议

作者： xiao-ying xie Wei-Hai Fang Ganglong Cui Key Laboratory of Theoretical and Computational Photochemistry Ministry of EducationCollege of ChemistryBeijing Normal University

NO气体是大气中的一种重要污染物,如何将其转化为对环境无毒无害的物质近年来引起人们的广泛关注。我们采用密度泛函理论,研究NO在TiO2表面的催化反应。通过我们的研究发现,NO在TiO2表面存在两种稳定的吸附方式。同时,我们的研究也发现... 详细信息

NO气体是大气中的一种重要污染物,如何将其转化为对环境无毒无害的物质近年来引起人们的广泛关注。我们采用密度泛函理论,研究NO在TiO2表面的催化反应。通过我们的研究发现,NO在TiO2表面存在两种稳定的吸附方式。同时,我们的研究也发现存在三条能量上可行的路径可以把NO催化转化为对环境无毒无害的NH3分子和H2O分子。值得注意的是TiO2表面OH的覆盖率对反应有很大的影响。

关键词： Rutile NO Hydroxyl

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Experimental Study on Geometry Characteristics of Turbulent Premixed Flames for Natural Gas/Air Mixtures

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Journal of Thermal Science 2025年第1期34卷 268-282页

作者： ZHENG Weilin WANG Qijiao xiao Huahua CHEN xiaoxiao xie Fan ZENG Wen Liaoning Key Lab of Advanced Test Technology for Aerospace Propulsion System Shenyang Aerospace UniversityShenyang 110136China State Key Laboratory of Fire Science University of science and Technology of ChinaHefei 230027China AVIC Shenyang Aircraft Design and Research Institute Shenyang 110035China

In this study,focusing on the geometry characteristics of spherical expanding flame,the turbulent premixed flames of natural gas/air mixtures were investigated in a fan-stirred turbulent *** effects of initial temperature(T=300-400 K),initial pressure(P=0.1-0.3 MPa),turbulence intensity(u'=1.0-2.7 m/s),oxygen volumetric percentage(φ(O_(2))=15%-21%)and carbon dioxide volumetric percentage(φ(CO_(2))=0-20%)were delved *** flame profile under the Cartesian coordinate system was derived from the schlieren images taken by the high-speed ***,from both macroscopic and microscopic perspectives,the influence of experimental conditions on the flame geometry characteristics was explored through flame front extraction,wavelet decomposition and network *** results demonstrate that for significant flame wrinkling,changes in species concentrations and turbulence intensity have more pronounced effects on the flame wrinkling *** wrinkling of the flame front maintains a certain degree of similarity,as evidenced by the locally concentrated distribution of the angles of the maximum fluctuation *** disturbance energy under large-scale(D6-D8)disturbances exhibits relatively high values with a similar trend,exerting a significant impact on the geometry characteristics of the flame *** peaks of correlation degree are scattered either with the decomposition scale or the development of flame radius,indicating no linear correlation between different detail ***,the probability distribution of node degrees in key wrinkled regions exhibits different trends with that of large-scale wrinkling and disturbance energy,especially with changes in initial *** occurs because the number of key wrinkles varies based on the perturbation's strength or the region's ***,an increase in the fluctuation frequency of the flame's local radius may not necessarily lead to an increase in the number of key folded regions.

关键词： geometry characteristics large-scale wrinkling wavelet decomposition network topology fan-stirred turbulent combustor

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Bioinspired smart dual-layer hydrogels system with synchronous solar and thermal radiation modulation for energy-saving all-season temperature regulation

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Journal of Energy Chemistry 2025年第2期101卷 175-190页

作者： Meng-Chen Huang Chao-Hua Xue Zhongxue Bai Jun Cheng Yong-Gang Wu Chao-Qun Ma Li Wan Long xie Hui-Di Wang Bing-ying Liu xiao-Jing Guo College of Bioresources Chemical and Materials Engineering Shaanxi University of Science & Technology School of Manufacture Science and Engineering Key Laboratory of Testing Technology for Manufacturing Process Ministry of Education Southwest University of Science and Technology School of Life Science and Engineering Southwest University of Science and Technology Northwest Institute for Nonferrous Metal Research Shaanxi Key Laboratory of Biomedical Metal Materials

All-season thermal management with zero energy consumption and emissions is more crucial to global decarbonization over traditional energy-intensive cooling/heating ***,the static single thermal management for cooling or heating fails to self-regulate the temperature in dynamic seasonal temperature ***,inspired by the dual-temperature regulation function of the fur color changes on the backs and abdomens of penguins,a smart thermal management composite hydrogel(PNA@H-PM Gel) system was subtly created though an "on-demand" dual-layer structure design *** PNA@H-PM Gel system features synchronous solar and thermal radiation modulation as well as tunable phase transition temperatures to meet the variable seasonal thermal requirements and energy-saving demands via self-adaptive radiative cooling and solar heating ***,this system demonstrates superb modulations of both the solar reflectance(ΔR=0.74) and thermal emissivity(ΔE=0.52) in response to ambient temperature changes,highlighting efficient temperature regulation with average radiative cooling and solar heating effects of 9.6℃ in summer and 6.1℃ in winter,***,compared to standard building baselines,the PNA@H-PM Gel presents a more substantial energy-saving cooling/heating potentials for energy-efficient buildings across various regions and *** novel solution,inspired by penguins in the real world,will offer a fresh approach for producing intelligent,energy-saving thermal management materials,and serve for temperature regulation under dynamic climate conditions and even throughout all seasons.

关键词： Energy-saving Radiative cooling Self-adaptive thermal management Spectral modulation Thermochromic hydrogel

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