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Hydrogen roles approaching ideal electrical and optical properties for undoped and Al doped ZnO thin films

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Journal of Materiomics 2022年第1期8卷 123-135页

作者： Dung Van Hoang Nam Hoang Vu Nga Thi Do Anh Tuan Thanh Pham Truong Huu Nguyen jer-lai kuo Thang Bach Phan Vinh Cao Tran Laboratory of Advanced Materials University of ScienceHoChiMinh City700000Viet Nam Vietnam National University HoChiMinh City700000Viet Nam HoChiMinh City Institute of Physics HoChiMinh City700000Viet Nam Institute of Atomic and Molecular Sciences Academia SinicaTaipei10617Taiwan Center for Innovative Materials and Architectures(INOMAR) HoChiMinh City700000Viet Nam Faculty of Materials Science&Technology University of ScienceHoChiMinh City700000Viet Nam

This paper distinguished hydrogen roles to improve electron mobility and carrier concentration in ZnO and Al doped ZnO sputtered *** combining experimental evidences and theoretical results,we find out that hydrogen located at oxygen vacancy sites(H_(O))is the main factor gives rise to increase simultaneously mobility and carrier concentration which has not been mentioned *** appropriate hydrogen content during sputtering not only results in crystalline relaxation but also supports doping Al into ZnO,increasing carrier concentration and electron mobility in the *** principles calculations confirmed hydrogen substitutional stability for oxygen vacancy,significantly reducing electron conductivity effective mass and hence increasing electron *** particular,0.8%hydrogen partial pressure ratio achieved 61 cm^(2)V^(-1)s^(-1)maximum electron mobility,optical transmittance above 82%in visible and near-infrared regions,and 2×10^(20) cm^(-3)carrier concentrations for H-Al co-doped ZnO *** values approach ideal electrical and optical properties for transparent conducting oxide *** presence of one maximum electron mobility was attributed to competition between increasing mobility due to restoring effective electron mass and hydrogen passivation of native defects,and decreased electron mobility due to electron-phonon scattering.

关键词： High electron mobility Hydrogen roles Passivation effects Effective electron mass DFT calculations Doped ZnO thin Film

Deconstructing Vibrational Motions on the Potential Energy Surfaces of Hydrogen-Bonded Complexes

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CCS Chemistry 2021年第1期3卷 829-835页

作者： Bingbing Zhang Shuo Yang Qian-Rui Huang Shukang Jiang Rongjun Chen Xueming Yang Dong H.Zhang Zhaojun Zhang jer-lai kuo Ling Jiang State Key Laboratory of Molecular Reaction Dynamics Collaborative Innovation Center of Chemistry for Energy and MaterialsDalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023 Institute of Atomic and Molecular Sciences Academia SinicaTaipei 10617 Department of Chemistry School of ScienceSouthern University of Science and TechnologyShenzhen 518055 University of Chinese Academy of Sciences Beijing 100049

Internal vibrations underlie transient structure formation,spectroscopy,and ***,at least two challenges exist when aiming to elucidate the contributions of vibrational motions on the potential energy *** is the acquisition of well-resolved experimental infrared spectra,and the other is the development of efficient theoretical methodologies that reliably predict band positions,relative intensities,and ***,we report size-specific infrared spectra of ammonia clusters to address these two *** agreement between experiment and state-of-the-art quantum simulations reveals that the vibrational spectra are mainly contributed by proton-donor ammonia.A striking Fermi resonance observed at approximately 3210 and 3250 cm^(−1)originates from the coupling of NH symmetric stretch fundamentals with overtones of free and hydrogen-bonded NH bending,*** novel,intriguing findings contribute to a better understanding of vibrational motions in a large variety of hydrogen-bonded complexes with orders of magnitude improvements in spectral resolution,efficiency,and specificity.

关键词： vibrational motion potential energy surface hydrogen bonding Fermi resonance ammonia cluster infrared spectroscopy quantum simulation anharmonic algorithm calculation

Efficient piezo-catalytic dye degradation using piezoelectric 6H-SiC under harsh conditions

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Rare Metals 2024年第7期43卷 3173-3184页

作者： Lin-Lin Zhou Tao Yang Kang Wang lai-Pan Zhu En-Hui Wang kuo-Chih Chou Hai-Long Wang Xin-Mei Hou Institute for Carbon Neutrality University of Science and Technology BeijingBeijing 100083China Institute of Steel Sustainable Technology Liaoning Academy of MaterialsShenyang 110000China Beijing Institute of Nanoenergy and Nanosystems Chinese Academy of SciencesBeijing 101400China School of Materials Science Engineering Zhengzhou UniversityZhengzhou 450001China Beijing Advanced Innovation Center for Materials Genome Engineering Beijing University of Science and TechnologyBeijing 100083China

The development of novel piezoelectric catalysts against harsh conditions is indeed crucial for improving the piezo-catalytic degradation efficiency of colored organic dyes in *** this work,6H-SiC nanoparticles(NPs)are utilized to piezo-catalytic degrade rhodamine B(RhB)and methylene blue(MB)under ultrasonic vibration for the first *** degradation efficiency of RhB and MB reaches 98.8%and 98.7%within 80 *** piezoelectricity of 6H-SiC is comprehensively analyzed by the piezoresponse force microscope(PFM)and finite element method(FEM).The strong oxidizing active free radicals generated by the continuous piezoelectric polarized electric field of 6H-SiC,i.e.,·O_(2)^(-)and·OH,induce the decomposition reactions of colored organic dyes in *** the dyes are proven to degrade to harmless or less-harmful products gradually during the piezo-catalysis process by high-performance liquid chromatography tandem mass spectrometry(HPLC-MS).Moreover,RhB is also decomposed efficiently by 6HSiC NPs under acidic and alkaline *** results prove the feasibility of 6H-SiC for decomposing common water pollutants under harsh conditions and provide a new perspective for water purification.

关键词： Piezo-catalytic degradation 6H-SiC Rhodamine B(RhB) Methylene blue(MB) Harsh conditions

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Self-polarized RGB device realized by semipolar micro-LEDs and perovskite-in-polymer films for backlight applications

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Opto-Electronic Advances 2024年第3期7卷 35-49页

作者： Tingwei Lu Yue Lin Tianqi Zhang Yue Huang Xiaotong Fan Shouqiang lai Yijun Lu Hao-Chung kuo Zhong Chen Tingzhu Wu Rong Zhang School of Electronic Science and Engineering Fujian Engineering Research Center for Solid-State LightingXiamen UniversityXiamen 361005China Innovation Laboratory for Sciences and Technologies of Energy Materials of Fujian Province(IKKEM) Xiamen 361005China Department of Photonics and Graduate Institute of Electro-Optical Engineering College of Electrical and Computer EngineeringYang Ming Chiao Tung UniversityHsinchu 30010China Semiconductor Research Center Hon Hai Research InstituteTaipei 11492China.

In backlighting systems for liquid crystal displays,conventional red,green,and blue(RGB)light sources that lack polarization properties can result in a significant optical loss of up to 50%when passing through a *** address this inefficiency and optimize energy utilization,this study presents a high-performance device designed for RGB polarized *** device employs an array of semipolar blueμLEDs with inherent polarization capabilities,coupled with mechanically stretched films of green-emitting CsPbBr3 nanorods and red-emitting CsPbI3-Cs4PbI6 hybrid *** CsPbBr3 nanorods in the polymer film offer intrinsic polarization emission,while the aligned-wire structures formed by the stable CsPbI3-Cs4PbI6 hybrid nanocrystals contribute to substantial anisotropic emissions,due to their high dielectric *** resulting device achieved RGB polarization degrees of 0.26,0.48,and 0.38,respectively,and exhibited a broad color gamut,reaching 137.2%of the NTSC standard and 102.5%of the Rec.2020 *** compared to a device utilizing c-plane LEDs for excitation,the current approach increased the intensity of light transmitted through the polarizer by 73.6%.This novel fabrication approach for polarized devices containing RGB components holds considerable promise for advancing next-generation display technologies.

关键词： halide perovskite light-emitting-diodes polarized emission nanocrystals stability

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Constrained reinforcement learning with statewise projection: a control barrier function approach

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Science China(Information Sciences) 2024年第3期67卷 136-154页

作者： Xinze JIN kuo LI Qingshan JIA Department of Automation Tsinghua University

Safety is a critical issue for reinforcement learning(RL), as it may be risky for some actual applications if the learning process involves unsafe exploration. Instead of formulating constraints as expectationbased in constrained RL, considering statewise safety in constrained RL is more meaningful. This work aims to address the issue of safe projection in RL by introducing a control barrier function that inherently learns a safe policy through a set certificate. We seek to analyze some theoretical properties of safe projection in the learning process, including convergence and performance bound, and extend the discussion into ensembles and guided controllers. Moreover, we approach analytical solutions for deterministic and stochastic system dynamics. Experimental results in different tasks show that the proposed method achieves better effects in terms of both performance and safety.

关键词： reinforcement learning safe projection control barrier function

Research progress and prospect of low-carbon biological technology for nitrate removal in wastewater treatment

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Frontiers of Environmental Science & Engineering 2024年第7期18卷 1-21页

作者： Ru Zheng kuo Zhang Lingrui Kong Sitong Liu College of Environmental Sciences and Engineering Peking UniversityBeijing 100871China Key Laboratory of Water and Sediment Sciences Ministry of Education of ChinaBeijing 100871China Eco-Environment and Resource Efficiency Research Laboratory School of Environment and EnergyPeking University Shenzhen Graduate SchoolShenzhen 518055China

Wastewater treatment plants are the major energy consumers and significant sources of greenhouse gas emissions,among which biological nitrogen removal of wastewater is an important contributor to carbon ***,traditional heterotrophic denitrification still has the problems of excessive residual sludge and the requirement of external carbon ***,the development of innovative low-carbon nitrate removal technologies is *** review outlines the key roles of sulfur autotrophic denitrification and hydrogen autotrophic denitrification in low-carbon wastewater *** discovered nitrate/nitrite dependent anaerobic methane oxidation enables sustainable methane emission reduction and nitrogen removal by utilizing available methane in *** microorganisms exhibited a promising potential to achieve carbon-negative nitrate ***,the algal-bacterial symbiosis system and photogranules offer effective and prospective low-carbon options for nitrogen ***,the emerging nitrate removal technology of photoelectrotrophic denitrification and the underlying,photoelectron transfer mechanisms are ***,we summarize and prospect these technologies,highlighting that solar-driven biological nitrogen removal technology is a promising area for future sustainable wastewater *** review has important guiding significance for the design of low-carbon wastewater treatment systems.

关键词： Carbon emissions Low-carbon Biological nitrogen removal Denitrification

Converting an O-vacancy-rich oxide into a multifunctional separator modifier for long-lifespan lithium metal batteries

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Journal of Energy Chemistry 2024年第10期97卷 371-378页

作者： Juntao Si Xiaoying Li Yixuan Li kuo Cao Yiran Zhu Chunhua Chen CAS Key Laboratory of Precision and Intelligent Chemistry Department of Materials Science and Engineering University of Science and Technology of China

The lithium metal anode is hailed as the desired "holy grail" for the forthcoming generation of highenergy-density batteries,given its astounding theoretical capacity and low ***,the formation and growth of dendrites seriously compromise battery life and ***,an yttriastabilized bismuth oxide（YSB） layer is fabricated on the polypropylene（PP） separator,where YSB reacts with Li anode in-situ in the cell to form a multi-component composite interlayer consisting of Li3Bi,Li2O,and *** interlayer can function not only as a redistributor to regulate Li+distribution but also as an anion adsorber to increase the Li+transference number from 0.37 to 0.79 for suppressing dendrite nucleation and ***,compared with the cell with a baseline separator,those with modified separators exhibit prolonged lifespan in both Li/Li symmetrical cells and Li/Cu ***,the full cells coupled with ultrahigh-loading LiFePO4display an excellent cycling performance of 1700 cycles with a high capacity retention of ～80% at 1 C,exhibiting great potential for practical *** work provides a feasible and effective new strategy for separator modification towards building a much-anticipated dendrite-free Li anode and realizing long-lifespan lithium metal batteries.

关键词： Conversion-alloying reaction Dendrite-free Lithium metal battery Multifunctional interlayer Separator

Novel variants in DNAH6 cause male infertility associated with multiple morphological abnormalities of the sperm flagella(MMAF)and ICSI outcomes

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Asian Journal of Andrology 2024年第1期26卷 91-98页

作者： Zhong-Mei Shao Yu-Tong Zhu Meng Gu Sen-Chao Guo Hui Yu kuo-kuo Li Dong-Dong Tang Yu-Ping Xu Ming-Rong Lv Reproductive Medicine Center Department of Obstetrics and Gynecologythe First Affiliated Hospital of Anhui Medical UniversityHefei 230022China Department of Obstetrics and Gynecology Fuyang Hospital of Anhui Medical UniversityFuyang 236112China NHC Key Laboratory of Study on Abnormal Gametes and Reproductive Tract(Anhui Medical University) Hefei 230032China Key Laboratory of Population Health Across Life Cycle(Anhui Medical University) Ministry of Education of the People'sRepublicof ChinaHefei 230032China

Variations in the dynein axonemal heavy chain gene,dynein axonemal heavy chain 6(DNAH6),lead to multiple morphological abnormalities of the *** studies have reported that these deficiencies may result in sperm head ***,whether DNAH6 is also involved in human acrosome biogenesis remains *** purpose of this study was to investigate DNAH6 gene variants and their potential functions in the formation of defective sperm heads and ***-exome sequencing was performed on a cohort of 375 patients with asthenoteratozoospermia from the First Affiliated Hospital of Anhui Medical University(Hefei,China).Hematoxylin and eosin staining,scanning electron microscopy,and transmission electron microscopy were performed to analyze the sperm morphology and *** staining and Western blot analysis were conducted to examine the effects of genetic *** identified three novel deleterious variants in DNAH6 among three unrelated *** absence of inner dynein arms and radial spokes was observed in the sperm of patients with DNAH6 ***,deficiencies in the acrosome,abnormal chromatin compaction,and vacuole-containing sperm heads were observed in these patients with DNAH6 *** decreased levels of the component proteins in these defective structures were further confirmed in sperm from patients with DNAH6 variants using Western *** intracytoplasmic sperm injection(ICSl)treatment,the partner of one patient with a DNAH6 variant achieved successful ***,novel variants in DNAH6 genes that contribute to defects in the sperm head and flagella were identified,and the findings indicated Icsl as an effective clinical treatment for such patients.

关键词： asthenoteratospermia DNAH6 intracytoplasmic sperm injection male infertility

Optimal Shape Factor and Fictitious Radius in the MQ-RBF:Solving Ill-Posed Laplacian Problems

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Computer Modeling in Engineering & Sciences 2024年第6期139卷 3189-3208页

作者： Chein-Shan Liu Chung-Lun kuo Chih-Wen Chang Center of Excellence for Ocean Engineering Taiwan Ocean UniversityKeelung202301TaiwanChina Department of Mechanical Engineering National United UniversityMiaoli36063TaiwanChina

To solve the Laplacian problems,we adopt a meshless method with the multiquadric radial basis function(MQRBF)as a basis whose center is distributed inside a circle with a fictitious radius.A maximal projection technique is developed to identify the optimal shape factor and fictitious radius by minimizing a merit function.A sample function is interpolated by theMQ-RBF to provide a trial coefficient vector to compute the merit *** can quickly determine the optimal values of the parameters within a preferred rage using the golden section search *** novel method provides the optimal values of parameters and,hence,an optimal MQ-RBF;the performance of the method is validated in numerical ***,nonharmonic problems are transformed to the Poisson equation endowed with a homogeneous boundary condition;this can overcome the problem of these problems being *** optimal MQ-RBF is extremely *** further propose a novel optimal polynomial method to solve the nonharmonic problems,which achieves high precision up to an order of 10^(−11).

关键词： Laplace equation nonharmonic boundary value problem Ill-posed problem maximal projection optimal shape factor and fictitious radius optimal MQ-RBF optimal polynomial method