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二维GaN中带电缺陷性质的第一性原理研究

原子与分子物理学报 2025年第4期42卷 147-155页

作者：罗子江毛淇陈志涛李改刘雪飞王继红顺德职业技术学院智能制造学院顺德528300 贵州大学大数据与信息工程学院贵阳550025

带电缺陷形成能与电荷转移能级对探索材料中n-type或p-type掺杂具有重要指导意义.基于第一性原理方法,本文结合二维带电缺陷校正理论,将半局域泛函电荷转移能级有效转换到杂化泛函精度,对六方二维氮化镓(Hexagonal gallium nitride,h-_(... 详细信息

带电缺陷形成能与电荷转移能级对探索材料中n-type或p-type掺杂具有重要指导意义.基于第一性原理方法,本文结合二维带电缺陷校正理论,将半局域泛函电荷转移能级有效转换到杂化泛函精度,对六方二维氮化镓(Hexagonal gallium nitride,h-_(Ga)N)12种n-type和p-type带电掺杂体系结构性质、磁学性质及缺陷性质进行系统研究.n-type体系包括C_(Ga),Si_(Ga),Ge_(Ga),O_(N),S_(N),Se_(N),p-type体系包括Be_(Ga),Mg_(Ga),Ca_(Ga),C_(N),Si_(N),Ge_(N),结果表明Ge_(Ga)和Be_(Ga)分别是n-type和p-type中最稳定缺陷.n-type体系最稳定价态为0和1+价,施主离子化能分布在低于导带底~0.4到~0.6 eV能量区间,表现为深施主能级特性,会捕获p型h-GaN中空穴,影响空穴导电率;p-type体系最稳定价态为1-,0(Ge_(N)除外),1+价,受主离子化能分布在高于价带顶~1.25到2.85 eV能量区间,表现为深受主能级特性,会捕获n(p)型h-GaN中电子(空穴),影响n(p)载流子导电率.研究结果表明,二维h-GaN体系很难通过单缺陷实现n或p-type掺杂,实验上需要考虑复合缺陷实现双极型掺杂.

关键词：二维GaN 第一性原理带电缺陷理论计算

Discovery of coesite in eclogite from Keqike Jianggalesayi: new evidence for ultrahigh-pressure metamorphism in South Altyn Tagh, northwestern China

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Science Bulletin 2017年第15期62卷 1048-1051页

作者： Yongsheng gai Liang liu Chao Wang Wenqiang Yang Lei Kang Yuting Cao Xiaoying Liao State Key Laboratory of Continental Dynamics Department of Geology Northwest University College of Earth Science and Engineering Shandong University of Science and Technology

Coesite is a polymorph of Si O2formed at speci?c high-pressure conditions, and its presence in some crustal rocks as relicts marks the exhumation of deep subducted material to mantle depths, thus providing robust evid... 详细信息

关键词：超高压变质作用柯石英榴辉岩中国西北证据阿尔金地球动力学模型岩石圈板块 SiO2

Efficacy of phospholipid complex of flavonoids from persimmon leaves on atherosclerosis, and possible mechanism

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Journal of Traditional Chinese Medicine 2022年第3期42卷 417-425页

作者： CHEN Jinpeng ZHANG Kexia liu Yi JIN Song gai Xiaohong REN Tao TIAN Chengwang State Key Laboratory of Drug Delivery and Pharmacokinetics Tianjin 300301China Tianjin Key Laboratory of TCM quality markers Tianjin 300301China Tianjin Institute of Pharmaceutical Research Tianjin 300301China Tianjin Pharmaceutial Research Institute Co.Ltd. Tianjin 300462China Sinopharm Group Tianjin Co.Ltd. Tianjin 300040China

OBJECTIVE:To investigate the efficacy of phospholipid complex of flavonoids from persimmon leaves(PLF-PC)on atherosclerosis,and to study its mechanism behind the ***:To clarify the constituents of the flavonoids from persimmon leaves(PLF),an ultra-performance liquid chromatography/quadrupole-time-of-flight mass spectrometry method was *** enhance the anti-atherosclerotic effect of PLF,a newly emerging approach based on the combination of phospholipid complexation technique was ***-PC was prepared by the solvent-evaporation method then characterized using Fourier transform infrared spectroscopy,Powder X-Ray Diffractometry and Scanning electron microscopy.A model of oxidized lowdensity lipoprotein-induced injury on human umbilical vein endothelial cells was established to investigate the anti-atherosclerotic effect of PLF-PC versus *** levels of nitric oxide,endothelial nitric oxide synthase,intracellular adhesion molecule-1,reactive oxygen species,superoxide dismutase,tumor necrosis factor-αand nuclear factor-κB were observed via assay ***:A total of 31 compounds were identified in ***-PC showed better anti-atherosclerotic power compared with PLF,moreover,enzyme linked immuneosorbent assay analysis showed that the PLF-PC may effect on endothelial dysfunction and atherosclerosis via antioxidant-related ***:Our findings elucidated that PLF-PC significantly enhanced the PLF’s efficacy on atherosclerosis.

关键词： flavonoids chromatography,high pressure liquid mass spectrometry phospholipids lipoproteins,LDL endothelial cells

PsRGL1 negatively regulates chilling- and gibberellin-induced dormancy release by PsF-box1-mediated targeting for proteolytic degradation in tree peony

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Horticulture Research 2023年第5期10卷 49-60页

作者： Linqiang Gao Demei Niu Tianyu Chi Yanchao Yuan chunying liu Shupeng gai Yuxi Zhang College of Life Sciences Qingdao Agricultural UniversityQingdao 266109China University Key Laboratory of Plant Biotechnology in Shandong Province Qingdao 266109China

Tree peony bud endodormancy is a common survival strategy similar to many perennial woody plants in winter,and the activation of the GA signaling pathway is the key to breaking *** signal transduction is involved in many physiological *** the GA-GID1-DELLA regulatory module is conserved in many plants,it has a set of specific components that add complexity to the GA response *** proteins are key switches in GA ***,there is an urgent need to identify the key DELLA proteins involved in tree peony bud dormancy *** this study,the prolonged chilling increased the content of endogenously active ***1 among three DELLA proteins was significantly downregulated during chilling-and exogenous GA3-induced bud dormancy release by cell-free degradation assay,and a high level of polyubiquitination was *** PsRGL1 accelerated bud dormancy release by increasing the expression of the genes associated with dormancy release,including PsCYCD,PsEBB1,PsEBB3,PsBG6,and *** F-box protein family members responded to chilling and GA3 treatments,resulting in PsF-box1 *** two-hybrid and BiFC assays indicated that only PsF-box1 could bind to PsRGL1,and the binding site was in the C-terminal ***-box1 overexpression promoted dormancy release and upregulated the expression of the dormancy-related *** addition,yeast two-hybrid and pull-down assays showed that PsF-box1 also interacted with PsSKP1 to form an E3 ubiquitin *** findings enriched the molecular mechanism of the GA signaling pathway during dormancy release,and enhanced the understanding of tree peony bud endodormancy.

关键词： release tree breaking

Metamorphic Evolution of Garnet Amphibolite from the Yaganbuyang Area in the South Altyn Orogen,West China:Insights from Phase Equilibria Modeling and Geochronology

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Journal of Earth Science 2023年第3期34卷 640-657页

作者： Xin Li Liang liu Xiaoying Liao Yongsheng gai Tuo Ma Guojian Geng Tong Li State Key Laboratory of Continental Dynamics Department of GeologyNorthwest UniversityXi'an 710069China

Garnet amphibolite is one of the common metabasic rocks exposed in collisional orogenic belt,the metamorphic evolution of which is associated closely with orogenic *** Yaganbuyang garnet amphibolites occur as blocks hosted by massive granitic gneiss,and consist mainly of hornblende,garnet,clinopyroxene,plagioclase,biotite,quartz with minor rutile/ilmenite and phengitic *** garnet amphibolites were interpreted to have experienced decompression-dominated evolution that can be divided into three generations(M1,M2,M3),based on the petrographic observations and phase equilibria modeling calculated by *** assemblage of the first generation(M1)is inferred to possibly be dominated by garnet+omphacite+rutile+phengite+quartz,which is modeled to be roughly stable at P>25 kbar and T>800℃.The second generation(M2)is characterized by the local symplectites of clinopyroxene+plagioclase produced from omphacite,indicating a near-isothermal decompression from~23.8 kbar/875℃to~10 kbar/852℃.The third generation(M3)is marked by the kelyphitic rims of plagioclase+hornblende around garnet and of hornblende+ilmenite around clinopyroxene,involving the late-stage retrogression from~9.8 kbar/848℃to~5.8 kbar/645℃.Zircon U-Pb dating yielded one group metamorphic age of c.500 Ma that is interpreted to represent the timing of the peak eclogite-facies metamorphism.A combination of petrography observation,phase modeling results and geochronology data suggests that the Yaganbuyang garnet amphibolites have once undergone eclogite-facies metamorphism by continental subduction rather than crustal ***,the Yaganbuyang area is an eastward extension part of the South Altyn HP-UHP metamorphic belt.

关键词： South Altyn Orogen garnet amphibolite phase equilibria modeling zircon U-Pb dating geochronology

Template-free synthesis of hollow TiO2 nanospheres supported Pt for selective photocatalytic oxidation of benzyl alcohol to benzaldehyde

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Green Energy & Environment 2019年第3期4卷 278-286页

作者： Hongbing Song Zong liu Yongjie Wang Na Zhang Xiaofei Qu Kai Guo Meng Xiao Hengjun gai College of Chemical Engineering Qingdao University of Science and TechnologyQingdao 266042China College of Materials Science and Engineering Qingdao University of Science and TechnologyQingdao 266042China

Heterogeneous photocatalytic system are widely applied to degrade organic pollutants or converse into high value-added chemicals. Both environmental and energy aspects should be considered to improve these chemical processes, favoring reaction conditions that involve room temperature and ambient O2 pressure. In the present work, hollow titanium dioxide nanospheres were fabricated via template-free method. The prepared samples were characterized by X-ray diffraction, N2 adsorption–desorption isotherms, transmission electron microscopy, and X-ray photoelectron spectroscopy. The photocatalytic activity was evaluated by photocatalytic oxidation of benzyl alcohol to benzaldehyde with visible light under atmospheric pressure at room temperature. The designed hollow structure(2%Pt–TiO2–5) not only exhibited a very high surface area,but also promoted photonic behavior and multiple light scattering, which as an efficient photocatalyst performed moderate conversion(about 20%) and high selectivity(> 99%) for oxidation of benzyl alcohol to benzaldehyde at room temperature with visible light in solvent of *** work suggests that both hollow structure and Pt nanoparticles have great potential for execution of oxidative transformations under visible light.

关键词： Titanium dioxide Hollow nanospheres Photocatalytic oxidation Benzyl alcohol Visible light

A novel Tb^(3+) and Eu^(3+) co-doped dual-emitting phosphate K_(3)SrBi(P_(2)O_(7))_(2) phosphor for application in FIR thermometers

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Journal of Rare Earths 2024年第3期42卷 455-463,I0001页

作者： Baochen Wang Shifeng Sun Zeqi Li Zongwang Li Weiwei Lin Chao Zeng Yan-gai liu Ruiyu Mi School of Chemical and Environmental Engineering Anhui Polytechnic UniversityWuhu241000China State-Province Joint Engineering Laboratory of Zeolite Membrane Materials Key Lab of Fluorine and Silicon for Energy Materials and Chemistry of Ministry of EducationInstitute of Advanced MaterialsCollege of Chemistry and Chemical EngineeringJiangxi Normal UniversityNanchang330022China Beijing Key Laboratory of Materials Utilization of Nonmetallic Minerals and Solid Wastes National Laboratory of Mineral MaterialsSchool of Materials Science and TechnologyChina University of GeosciencesBeijing100083China

Rare earth co-doped phosphor for fluorescence intensity ratio(FIR) thermometer has gained increasing attention in recent years. Herein, the novel Tb^(3+)and Eu^(3+)co-doped K_(3)SrBi(P_(2)O_(7))_(2)(KSBP) phosphate phosphors were reported. The crystal structure of the title phosphor was determined using Rietveld refinement and proved to have a three-dimensional structure. The time-resolved spectroscopy reveals that there is almost no energy transfer between Tb^(3+)and Eu^(3+). More importantly, Tb^(3+)and Eu^(3+)emissions show different thermal quenching behaviors, which claims the potential of this material for application in optical thermometer. The FIR of the typical KSBP:0.02Tb^(3+),0.04Eu^(3+)sample demonstrates a polynomial relationship as a function of temperature and the absolute and relative sensitivity are0.025 K^(-1) and 0.59%/K, respectively. In general, our study reports a novel and potential KSBP:Tb^(3+),Eu^(3+)phosphate phosphor that is promising for use in high-sensitive FIR thermometers.

关键词： Phosphor Thermometer Fluorescence intensity ratio Thermal stability Rare earths

Numerical analysis for the effcacy of nasal surgery in obstructive sleep apnea hypopnea syndrome

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Acta Mechanica Sinica 2014年第2期30卷 250-258页

作者： Shen Yu Ying-Xi liu Xiu-Zhen Sun Ying-Feng Su Ying Wang Yin-Zhe gai State Key Laboratory of Structural Analysis for Industrial Equipment Dalian University of Technology Department of Otorhinalaryngology The Second Affiliated Hospital of Dalian Medical University

In the present study, we reconstructed upper airway and soft palate models of 3 obstructive sleep apnea-hypopnea syndrome（OSAHS） patients with nasal obstruction. The airflow distribution and movement of the soft palate before and after surgery were described by a numerical simulation method. The curative effect of nasal surgery was evaluated for the three patients with OSAHS. The degree of nasal obstruction in the 3 patients was improved after surgery. For 2 patients with mild OSAHS, the upper airway resistance and soft palate displacement were reduced after surgery. These changes contributed to the mitigation of respiratory airflow limitation. For the patient with severe OSAHS, the upper airway resistance and soft palate displacement increased after surgery, which aggravated the airway obstruction. The effcacy of nasal surgery for patients with OSAHS is determined by the degree of improvement in nasal obstruction and whether the effects on the pharynx are beneficial. Numerical simulation results are consistent with the polysomnogram（PSG） test results, chief complaints, and clinical findings, and can indirectly reflect the degree of nasal patency and improvement of snoring symptoms, and further,provide a theoretical basis to solve relevant clinical problems.

关键词： Nasal surgery Obstructive sleep apnea hypop-nea syndrome Fluid-solid interaction Numerical analysis

Enhanced nitrogen removal at low temperature with mixed anoxic/oxic process

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Water Science and Engineering 2023年第1期16卷 67-75页

作者： Xiang-kun Li Ying-jun Yang gai-ge liu Dou-dou Sun Xiao-chen Ma School of Civil and Transportation Engineering Hebei University of TechnologyTianjin 300401China School of Environment Harbin Institute of TechnologyHarbin 150090China

Different hydraulic retention times(HRTs)were tested in a mixed anoxic/oxic(A/O)system at 5C and 10C to investigate the effects of HRT and carrier on nitrogen removal in wastewater at low *** results showed that the addition of the fillers improved the treatment effect of each index in the *** an optimal HRT of 7.5 h at 5C,the removal efficiencies of NHþ4-N and total nitrogen(TN)reached 91.2%and 75.6%,*** an HRT of 6 h at 10C,the removal efficiencies of NHþ4-N and TN were 96.7%and 82.9%,*** results of high-throughput sequencing showed that the addition of the suspended carriers in the aerobic zone could improve the treatment efficiency of nitrogen at low *** microbial analysis indicated that the addition of the suspended carriers enhanced the enrichment of nitrogen removal ***,Nitrotoga,and Nitrosomonas were found to be the bacteria responsible for nitrification,and their relative concentrations on the biofilm at 5C and 10C accounted for 98.11%,92.79%,and 69.98%of all biological samples,respectively.

关键词： Domestic sewage Low temperature Mixed A/O process Nitrogen removal Bacterial community structure