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In-situ chloride/potassium passivated ZnO nanocrystals for improved charge extraction in PbS quantum dot solar cells

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Journal of colloid and interface science 2025年 698卷 138108页

作者： Tao Zeng Lijing Wang Zhangwang Guo Yuxing Shi Yunxia Chen Gang Dong Wei Li Lingju Meng National Engineering Research Center for Domestic & Building Ceramics School of Materials and Engineering Jingdezhen Key Laboratory of Environmental Ceramics Jiangxi Key Laboratory of Advanced Ceramic Materials Jingdezhen Ceramic University Jingdezhen 333403 China. National Engineering Research Center for Domestic & Building Ceramics School of Materials and Engineering Jingdezhen Key Laboratory of Environmental Ceramics Jiangxi Key Laboratory of Advanced Ceramic Materials Jingdezhen Ceramic University Jingdezhen 333403 China. Electronic address: chenyunxia@***. State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 China. Changchun Institute of Optics Fine Mechanics and Physics Chinese Academy of Sciences Changchun 130033 China Department of Chemistry and Materials Science Aalto University Espoo 02150 Finland. Electronic address: menglingju@***.

Electron transport layers comprising colloidal ZnO nanocrystals are commonly utilized in PbS quantum dot solar cells. However, the presence of surface defects induced by oxygen vacancies and surface hydroxyls poses a significant obstacle to high-performance device. Consequently, there is an urge for realizing ZnO nanocrystals with reduced surface defects. Herein, we developed an in-situ passivation strategy for synthesizing ZnO nanocrystals, denoted as Cl/K-ZnO, with suppressed surface defects by Cl/K ions. The integration of the Cl/K-ZnO electron transport layer into the photovoltaics has led to a remarkable decrease in surface defects and reasonable energy band alignment for better carrier extraction. Accordingly, we achieved the efficient photovoltaics with a champion power conversion efficiency of 11.17 % and an impressive operational stability, retained 83 % of the initial power conversion efficiency after an operation period of 200 h under AM 1.5 G illumination in N glovebox.

关键词： Energy band alignment Passivation Quantum dot solar cells Surface defects ZnO nanocrystals

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Inter-Site Distance Effect in Electrocatalysis

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Angewandte Chemie 2025年

作者： Jiongcan Xiang Pengfei Wang Panpan Li Min Zhou Guihua Yu Zhaoyu Jin Institute of Fundamental and Frontier Sciences University of Electronic Science and Technology of China Chengdu 611731 China College of Materials Science and Engineering Sichuan University Chengdu 610065 China State Key Laboratory of Electroanalytical Chemistry Changchun Institute of Applied Chemistry Chinese Academy of Sciences Changchun 130022 China Materials Science and Engineering Program and Walker Department of Mechanical Engineering the University of Texas at Austin Austin TX 78712 USA

The inter-site distance effect (ISDE) has gained significant attention in heterogeneous catalysis, challenging classical models that treat adjacent nonbonded sites as isolated. Recent studies demonstrate that these sites can exhibit long-range cooperative interactions, enhancing reaction efficiencies. Fully leveraging the ISDE to overcome limitations in site reactivity requires a multidisciplinary approach and advanced techniques. This review provides a comprehensive overview of ISDE in electrocatalysis, starting with strategies for synthesizing materials with tunable inter-site distances. It examines ISDE across various catalyst models, including monometallic and heteronuclear atomic sites, active sites within clusters, and the lattice of nanocatalysts, focusing on their electronic structures, spatial geometries, and synergistic interactions. Advanced characterization and computational methods are highlighted as essential for identifying inter-site structures and distances, providing a systematic framework for understanding ISDE's role in electrocatalysis. The review also proposes best practices for studying ISDE, addressing current challenges and offering future perspectives. These insights aim to inform the design of highly efficient catalysts, enhance the understanding of catalytic mechanisms, and contribute to the development of more efficient energy conversion technologies, providing a foundation for further research into optimizing electrocatalysts.

关键词： Electrocatalysis Inter-site distance Single-atom catalysts Site density

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Mo-Terminated Edges in Mos2 for Site-Specific Hydrolysis and DNA Cleavage

SSRN

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SSRN 2024年

作者： Wang, Cong Wu, Menghan Li, Muqing Zhao, Yingcan Zhao, Mingchuang Zhang, Yunhao Bai, Yichao Gao, Jianxiang Wang, Xiaoxia Tian, Xilin Zhang, Han Chang, Liang Zou, Xiaolong Liu, Bilu Kang, Feiyu Terrones, Mauricio Lei, Yu Institute of Materials Research Shenzhen Key Laboratory of Advanced Layered Materials for Value-added Applications Guangdong Provincial Key Laboratory of Thermal Management Engineering and Materials Center of Double Helix Tsinghua Shenzhen International Graduate School Tsinghua University Shenzhen518055 China Institute of Materials Research Shenzhen Geim Graphene Center Shenzhen Key Laboratory of Advanced Layered Materials for Value-added Applications Tsinghua-Berkeley Shenzhen Institute Tsinghua Shenzhen International Graduate School Tsinghua University Shenzhen518055 China Environmental Science Program Department of Life Sciences Beijing Normal University-Hong Kong Baptist University United International College Guangdong 519087 China Tsinghua Shenzhen International Graduate School Tsinghua University Shenzhen518055 China Department of Physics Department of Chemistry Department of Materials Sciences Center for 2-Dimensional and Layered Materials The Pennsylvania State University University Park PA16802 United States International Collaborative Laboratory of 2D Materials for Optoelectronics Science and Technology Ministry of Education Institute of Microscale Optoelectronics Shenzhen University Shenzhen518060 China Key Laboratory of Optoelectronic Devices and Systems China

The hydrolysis of DNA serves as the foundational principle for gene engineering that enable precise gene cleavage at the molecular level. This process typically occurs in biological nucleases, which exhibit nucleobase-selective and catalytic hydrolysis capabilities rarely replicated in abiotic nanomaterials. Here, we demonstrate that molybdenum-terminated (Mo-terminated) edges of molybdenum disulfide (MoS2) possess the unique ability to abstract a proton (H+) from water molecules, thereby facilitating catalytic hydrolysis reactions that cleave the phosphodiester bonds in DNA through the action of hydroxide ions. The enhanced proton absorption at Mo-terminated edges of MoS2 significantly reduces the activation energy required for the DNA hydrolysis reaction. Furthermore, the favorable interaction between the Mo-terminated edges and thymine nucleobases promotes both charge transfer and P-O bond cleavage, enabling targeted DNA hydrolysis at 'TTTTTTT' sequences under dark conditions. This discovery underscores the potential of MoS2 as a stable, efficient nanosystem for precise genetic editing, heralding advanced applications in the field of gene engineering. © 2024, The Authors. All rights reserved.

关键词： DNA sequences

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Encaging Co Nanoparticle in Atomic Co‒N4-Dispersed Graphite Nanopocket Evokes High Oxygen Reduction Activity for Flexible Zn-Air Battery

SSRN

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SSRN 2023年

作者： Yang, Yuandong Xiao, Yi Zhang, Linjie Wang, Hsiao-Tsu Chen, Kuan-Hung Lin, Wei-Xuan Jin, Na Sun, Chen Shao, Yu-Cheng Chen, Jeng-Lung Qian, Jinjie Han, Lili College of Life and Environmental Science College of Chemistry and Materials Engineering Wenzhou University Zhejiang Wenzhou325035 China State Key Laboratory of Structure Chemistry Fujian Institute of Research the Structure of Matter Chinese Academy of Sciences Fuzhou350002 China Bachelors’s Program in Advanced Materials Science Tamkang University New Taipei City251301 Taiwan Department of Physics Tamkang University New Taipei City25137 Taiwan National Synchrotron Radiation Research Center Hsinchu30076 Taiwan

Rational design of oxygen reduction reaction (ORR) electrocatalysts with indestructible active sites for high-performance Zn-air batteries (ZABs) remains a significant challenge. Herein, we achieve an innovative active site design by encaging Co nanoparticles within the Co−N4 atomic sites-dispersed graphite nanopocket (CoSAs-NPs/NC), leading to outstanding alkaline ORR activity and stability, and consequently ultra-high power density of 193.8 mW cm–2 and specific capacity of 819.1 mAh gZn–1 at 10 mA cm–2 of a primary ZAB assembled, along with impressive power density of 73.4 mW cm–2 and charging/discharging stability up to 110 cycles of a flexible solid-state ZAB. Theoretical calculations unveil the enhanced ORR kinetics can be traced to the significantly optimized local electronic structure of Co−N4 sites with upshifted d-band center and reduced energy barrier of rate-limiting step by the encaged Co nanoparticle. This study showcases a creative conformational design for guiding the construction of valid synergy in hybridized metal/single-atom catalysts. © 2023, The Authors. All rights reserved.

关键词： Electrolytic reduction

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Chitooligosaccharide Hypocholesterolemic Properties: Structure-Function Relationships

SSRN

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SSRN 2022年

作者： Coreta-Gomes, Filipe Silva, Inês M.V. Nunes, Cláudia Marin-Montesinos, Ildefonso Evtuguin, Dmitry V. Geraldes, Carlos F.G.C. Moreno, Maria João Coimbra, Manuel A. LAQV-REQUIMTE Chemistry Department University of Aveiro Aveiro3810-193 Portugal Department of Chemistry University of Coimbra Coimbra3004-535 Portugal CICECO-Aveiro Institute of Materials Department of Materials and Ceramic Engineering University of Aveiro Aveiro3810-193 Portugal CICECO-Aveiro Institute of Materials Department of Chemistry University of Aveiro Aveiro3810-193 Portugal Department of Life Sciences Faculty of Science and Technology University of Coimbra Calçada Martim de Freitas Coimbra3000-393 Portugal Department of Chemistry Faculty of Science and Technology University of Coimbra Rua Larga Coimbra3004-535 Portugal

Chitooligosaccharides have been described as hypocholesterolemic compounds, although their structure-function relationships are not fully known. Targeting to understand their mechanisms of action, in this work, commercial chitooligosaccharides (average degree of polymerization of 10, 90% deacetylation, 20 mV surface charge potential and 2.4 cP viscosity) was used. Their hypocholesterolemic effect was assessed by NMR, measuring cholesterol bioaccessibility and bile salt sequestration in an in vitro intestinal model. Bile salt sequestration capacity was also determined by zeta potential measurements. Electrostatic interactions between negatively charged bile salts and positively charged chitooligosaccharide were observed. Solid state NMR chemical shift analysis showed also hydrophobic interactions between bile salts and chitooligosaccharides acetyl groups. Viscosimetry and diffusion DOSY NMR measurements showed that chitooligosaccharides viscosity do not affect hypocholesterolemic properties. These results highlight that chitooligosaccharides hydrophobic character, even at a high degree of deacetylation, together with positive charges, is a relevant structural feature to tailor cholesterol lowering properties. © 2022, The Authors. All rights reserved.

关键词： Cholesterol

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Application of Emerging Innovations in Microbiome science to Space Development and Settlement Systems 73

Application of Emerging Innovations in Microbiome Science to...

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73rd International Astronautical Congress, IAC 2022

作者： Nastasi, Nicholas Anderson, Matthew Z. Balasubrahmaniam, Neeraja Bope, Ashleigh Britt, Rodney D. Cochran, Samuel J. Gill, Samuel J. Hegarty, Bridget Lee, Jiyoung Stamps, Blake W. Stickney, Amanda Taylor, Christopher G. Tram, Nguyen K. Van Dusen, John Varaljay, Vanessa A. Weir, Mark H. Horack, John M. Oglesbee, Michael Sullivan, Matthew B. Dannemiller, Karen C. Department of Civil Environmental & Geodetic Engineering Ohio State University ColumbusOH United States Division of Environmental Health Sciences College of Public Health Ohio State University ColumbusOH United States Environmental Sciences Graduate Program Ohio State University ColumbusOH United States Department of Microbiology College of Arts and Sciences Ohio State University ColumbusOH United States Department of Microbial Infection and Immunity Ohio State University ColumbusOH United States Center for Perinatal Research The Abigail Wexner Research Institute Nationwide Children's Hospital Department of Pediatrics Ohio State University ColumbusOH United States Department of Civil and Environmental Engineering Case School of Engineering Case Western Reserve University ClevelandOH United States Department of Food Science and Technology Ohio State University ColumbusOH United States Infectious Diseases Institute Ohio State University ColumbusOH United States Soft Matter Materials Branch Materials and Manufacturing Directorate Air Force Research Laboratory Wright - Patterson AFBOH United States Department of Plant Pathology College of Food Agriculture and Environmental Science Ohio State University ColumbusOH United States Department of Anesthesiology & Pain Medicine Nationwide Children's Hospital ColumbusOH United States Airman Systems Directorate 711th Human Performance Wing Air Force Research Laboratory WPAFBOH United States Sustainability Institute Ohio State University ColumbusOH United States Department of Mechanical and Aerospace Engineering College of Engineering John Glenn College of Public Affairs Ohio State University ColumbusOH United States Department of Veterinary Biosciences College of Veterinary Medicine Ohio State University ColumbusOH United States Center of Microbiome Science Ohio State University ColumbusOH United States

Future human spaceflight beyond low-Earth orbit will bring substantial changes and new requirements to the development of fully sustainable, healthy indoor human environments across a range of gravitational, radiative, and thermal conditions. One key aspect is understanding (and potentially leveraging) microorganisms that must coexist with humans, plants, and animals in enclosed habitats (their microbiota or microbiomes). Modern, genome-resolved microbiome science provides an opportunity to better understand how we can utilize microbes to optimize space missions and protect human health and well-being long-term. Microorganisms will be critical to mission success due to their direct or indirect interactions with 1) humans, 2) other living systems (e.g., plant and animal life as a food source and for experimentation), and 3) the built environment. For example, the human gut microbiome is a complex community that has important implications for human health and performance that include mental health, nutrition intake, and immune system function. The health of plant microbiomes is also critical for sustainable, dependable, and nutritious food production. Humans, plants, and other living systems (e.g., animals used in experimentation) will also shed microbes into the built environment, which may impact human exposure, plant health, system integrity, and planetary protection from microbial contamination in both forward and reverse directions. Microbes from all three systems will interact, resulting in potentially important 'non-linear' system implications that must be understood for the overall long-term sustainability of hardware, crew, and other living systems. This paper discusses recent advances in technology that expand measurement capabilities to ultra-low-biomass samples and now allow for better understanding of microbial taxa, community structure and drivers, and functional capacity, which together will empower microbiome-optimized deep-space human exploration miss

关键词： Bacteria

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High pressure synthesis and characterization of the pyrochlore Dy2Pt2O7:A new spin ice material

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Chinese Physics B 2020年第4期29卷 116-120页

作者： Qi Cui Yun-Qi Cai Xiang Li Zhi-Ling Dun Pei-Jie Sun Jian-Shi Zhou Hai-Dong Zhou Jin-Guang Cheng Beijing National Laboratory for Condensed Matter Physics and Institute of Physics Chinese Academy of SciencesBeijing 100190China School of Physical Sciences University of Chinese Academy of SciencesBeijing 100190China Materials Science and Engineering Program Mechanical EngineeringUniversity of Texas at AustinAustinTexas 78712USA Key Laboratory of Advanced Optoelectronic Quantum Architecture and Measurement of Ministry of Education School of PhysicsBeijing Institute of TechnologyBeijing 100081China Department of Physics and Astronomy University of TennesseeKnoxvilleTN 37996USA School of Physics Georgia Institute of TechnologyAtlantaGA 30332USA Songshan Lake Materials Laboratory Dongguan 523808China

The cubic pyrochlore Dy2Pt2O7 was synthesized under 4 GPa and 1000℃ and its magnetic and thermodynamic properties were characterized by DC and AC magnetic susceptibility and specific heat down to 0.1 *** found that Dy2Pt2O7 does not form long-range magnetic order,but displays characteristics of canonical spin ice such as Dy2Pt2O7,including(1)a large effective moment 9.64μB close to the theoretical value and a small positive Curie-Weiss temperatureθCW=+0.77 K signaling a dominant ferromagnetic interaction among the Ising spins;(2)a saturation moment ~4.5μB being half of the total moment due to the local<111>Ising anisotropy;(3)thermally activated spin relaxation behaviors in the low(~1 K)and high(~20 K)temperature regions with different energy barriers and characteristic relaxation time;and most importantly,(4)the presence of a residual entropy close to Pauling’s estimation for water ice.

关键词： Dy2Pt2O7 pyrochlore oxide spin ice high-pressure synthesis

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Electron mobility of SnO2 from first principles

arXiv

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arXiv 2024年

作者： Wang, Amanda Bushick, Kyle Pant, Nick Lee, Woncheol Zhang, Xiao Leveillee, Joshua Giustino, Feliciano Poncé, Samuel Kioupakis, Emmanouil Department of Materials Science and Engineering University of Michigan Ann ArborMI48109 United States Applied Physics Program University of Michigan Ann ArborMI48109 United States Department of Electrical and Computer Engineering University of Michigan Ann ArborMI48109 United States Oden Institute for Computational Engineering and Sciences The University of Texas at Austin AustinTX78712 United States Department of Physics The University of Texas at Austin AustinTX78712 United States European Theoretical Spectroscopy Facility Institute of Condensed Matter and Nanosciences Université catholique de Louvain Chemin des Étoiles 8 Louvain-la-NeuveB-1348 Belgium WEL Research Institute Avenue Pasteur 6 Wavre1300 Belgium

The transparent conducting oxide SnO2 is a wide bandgap semiconductor that is easily n-type doped and widely used in various electronic and optoelectronic applications. Experimental reports of the electron mobility of this material vary widely depending on the growth conditions and doping concentrations. In this work, we calculate the electron mobility of SnO2 from first principles to examine the temperature- and doping-concentration dependence, and to elucidate the scattering mechanisms that limit transport. We include both electron-phonon scattering and electron-ionized impurity scattering to accurately model scattering in a doped semiconductor. We find a strongly anisotropic mobility that favors transport in the direction parallel to the c-axis. At room temperature and intrinsic carrier concentrations, the low-energy polar-optical phonon modes dominate scattering, while ionized-impurity scattering dominates above 1018 cm-3 Copyright © 2024, The Authors. All rights reserved.

关键词： Electron mobility

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A Human-Centered Design Approach to SOVTE Straw Phonation Instruction

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Journal of Voice 2023年

作者： Bhatt, Sandeep Scearce, Leda Frank-Ito, Dennis Nixon, Tara Umstead, Kelly A. Department of Industrial Design North Carolina State University Raleigh NC United States Department of Head and Neck Surgery & Communication Sciences Duke University School of Medicine Durham NC United States Computational Biology and Bioinformatics Program Duke University Durham NC United States Department of Mechanical Engineering and Materials Science Duke University Durham NC United States

Objectives: Extensive research has demonstrated that straw/tube phonation exercises produce positive effects on the voice quality of the user. The purpose of this study was to explore pedagogical practices employed by a range of voice professionals when using SOVTEs by applying human-centered design approaches to examine workflow and communication between teachers and students. Method/Design: The researchers conducted a series of five participatory role-playing workshop activities at a multi-disciplinary vocology conference that included speech-language pathologists, voice scientists, physicians, singing teachers, acting voice teachers, choral directors, and singers. Volunteers were asked to assume the role of teaching or learning straw phonation exercises. The other participants from each workshop were asked to provide written and verbal feedback regarding the teacher/student dynamics and what they found most important and relevant in terms of best practices for SOVTEs. Expert evaluators subsequently provided similar feedback based on video recordings of the workshops. Results: While there was variability noted in teaching techniques and results, common themes emerged in the analysis. Successful and unsuccessful student and teacher techniques were identified by the workshop participants. Through the video analysis, the research team identified themes in instructional teaching, experiential learning, and straw articulation and mechanics. Conclusions: The benefits of straw/tube phonation exercises on voice quality have been well-established and are clear. As we continue to refine best practices in SOVTEs and, in particular, straw phonation, involvement of experts in HCD as part of multidisciplinary teams may lead to the eventual design of SOVTE tools that provide greater precision, consistency, and effectiveness both in clinical and pedagogical settings, and aid in the differentiation of SOVTE approaches within the taxonomy of vocal habilitation and rehabilitation te

关键词： Voice disorder Voice habilitation Voice pedagogy Voice rehabilitation Voice therapy Voice training

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Effect of Gd3+/Nd3+- dual doped borate glasses on the physical and spectroscopic properties for the NIR emission at 1.069 µm

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Optik 2023年第1期290卷

作者： Manyum, P. Rittisut, W. Mool-am-kha, P. Wantana, N. Ruangtaweep, Y. Rujirawat, S. Yimnirun, R. Kidkhunthod, P. Prasatkhetragarn, A. Kothan, S. Kim, H.J. Minh, P.H. Kaewkhao, J. School of Physics and Center of Excellence in High Energy Physics and Astrophysics Suranaree University of Technology Nakhon Ratchasima30000 Thailand Construction Materials Group Engineering Materials Division Department of Science Service Ministry of Higher Education Science Research and Innovation Bangkok10400 Thailand Physics Program Faculty of Science and Technology Nakhon Pathom Rajabhat University Nakhon Pathom 73000 Thailand Center of Excellence in Glass Technology and Materials Science Nakhon Pathom Rajabhat University Nakhon Pathom 73000 Thailand 111 University Avenue Muang Nakhon Ratchasima30000 Thailand Rayong Wangchan21210 Thailand Rayong Wangchan21210 Thailand Applied Science Program School of Science University of Phayao Phayao56000 Thailand Center of Radiation Research and Medical Imaging Department of Radiologic Technology Faculty of Associated Medical Sciences Chiang Mai University Chiang Mai50200 Thailand Department of Physics Kyungpook National University Daegu41566 Korea Republic of Institute of Physics Vietnam Academy of Science and Technology 10 Dao Tan Ba Dinh Hanoi Viet Nam

Near-infrared luminescence properties of dual doped Gd3+/Nd3+-incorporated glasses were manufactured using the melt-quenching technique and characterized by several techniques. The modification in glass structure may be seen in the differences in density, molar volume, and refractive index that occur when the amount of lanthanide oxide in the glass increases. The spectroscopic properties of Nd3+ in these glasses are quite well understood, and the observed optical characteristics may be used to process and eventually determine laser properties. According to the results of XANES, the Nd oxidation state remains the predominant peak for Nd3+ in all of the samples. The transition from 4I9/2 to 4G5/2 +2G7/2 is important for the strongest band in the absorption spectra, which can be seen at 584 nm. The luminescence spectra show peaks caused by 4F3/2→4IJ (J=11/2, 13/2) at three excitation wavelengths of 526, 574 and 805 nm. After the processing, we created glass samples for the study of photoluminescence with various amounts of Nd2O3 incorporated into the best host, 25Li2O-5Al2O3-2.5Gd2O3-(67.5-X)B2O3-XNd2O3. Based on luminescence intensity, it is determined that 1.0 mol% of Nd2O3 is the concentration quenching in the studied glasses. The 4F3/2 →4I11/2 transition at 1069 nm, excited by 526, 578 and 803 nm, has the highest emission intensity. The combined findings of the glasses demonstrate that near-infrared luminescence may be successfully used with them. All of the analysis shows that the dual doped Gd3+/Nd3+ borate glass would be a potential solid-state laser candidate. © 2023 Elsevier GmbH

关键词： Neodymium compounds

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