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Statistics of random walks in geologically relevant conductance fields

Physical Review E 2024年第5期110卷 054207页

作者： Shayan Jalalmanesh Muhammad Sahimi Felipe P. J. de Barros Mork Family Department of Chemical Engineering and Materials Science Sonny Astani Department of Civil and Environmental Engineering

Statistics of diffusion, modeled by random walks, such as the mean number of distinct sites visited S(t) at time t, the mean probability P0(t) of being at the origin of the walk, and the mean-squared displacements 〈R2(t)〉 of the random walkers have been studied extensively in the past in both regular lattices and such disordered media as percolation clusters and other fractal structures, and universal power laws for such quantities have been derived. S(t) provides insight into reaction properties of geological formations, while P0(t) is directly linked with the problem of back diffusion in remediation of groundwater aquifers. In all such studies, it was assumed that the conductances of the bonds that connect nearest-neighbor sites of the lattices are equal. Motivated by the problem of transport and reaction in large-scale porous media that are characterized by a broad spatial distribution of hydraulic conductances, we demonstrate, using extensive Monte Carlo simulations, that the statistics of random walks, when the conductances are broadly distributed, depend on the structure of the distribution. Five geologically relevant conductance distributions, namely, normal, log-normal, fractional Brownian motion (FBM), log-FBM, and stable distributions, are considered and random walks in a two-dimensional model with the five distributions are simulated. The first two distributions are uncorrelated, while the last three induce long-range correlations in the values of the conductance. We show that if S(t)∼tp and P0(t)∼t−ζ, the exponents p and ζ may depend on the conductance distribution, in which case they are neither equal to those for homogeneous lattices, nor those for percolation clusters and other fractal structures. For at least three of the conductance distributions, diffusion is anomalous, with 〈R2(t)〉 not growing linearly with the time t, even in the long-time limit. In addition to being of scientific interest, and the fact that transport processes in geomedia are si

关键词： Geophysical fluid dynamics Lattice field theory

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Microstructural evolution in lithium plating process and its effect on the calendar storage life

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Nano Research 2024年第10期17卷 8834-8841页

作者： Ki Hwan Koh Dong Ju Lee Anthony Mu Kangwoon Kim Taehee Kim Zheng Chen Department of Chemical and Nano Engineering University of California San DiegoLa JollaCA 92093USA Program of Materials Science and Engineering University of California San DiegoLa JollaCA 92093USA Sustainable Power and Energy Center University of California San DiegoLa JollaCA 92093USA

The growing demand for electric vehicles highlights the need for energy storage solutions with higher densities,spotlighting Li metal anodes as potential successors to traditional Li-ion batteries(LIBs).Achieving longer calendar aging life for Li metal anodes is crucial for their practical use,given their propensity for corrosion due to a low redox potential,which leads to compromised cycling stability and significant capacity loss during *** research investigated that this susceptibility is mainly dependent on the surface area of Li metal anode and the properties of the solid electrolyte interphase(SEI),particularly its stability and growth *** research adds to this understanding by demonstrating that the amount of Li plating is a key factor in its corrosion during open-circuit storage,as assessed across various *** discovered that increasing the Li plating amount effectively reduces Coulombic efficiency(C.E.)loss during aging,due to a lower surface area-to-Li *** implies that the choice of electrolyte for optimal storage life should consider the amount of Li plating,with higher capacities promoting better storage characteristics.

关键词： lithium metal batteries anode-free batteries calendar life of batteries lithium anode corrosion

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Designing artificial ion channels with strict K+/Na+ selectivity toward next-generation electric-eel-mimetic ionic power generation

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National science Review 2023年第12期10卷 193-202页

作者： Jipeng Li Linhan Du Xian Kong Jianzhong Wu Diannan Lu Lei Jiang Wei Guo State Key Laboratory of Marine Resource Utilization in South China Sea School of Materials Science and Engineering Hainan University Department of Chemical Engineering Tsinghua University South China Advanced Institute for Soft Matter Science and Technology Guangdong Provincial Key Laboratory of Functional and Intelligent Hybrid Materials and Devices School of Emergent Soft MatterSouth China University of Technology Department of Chemical and Environmental Engineering University of California Research Institute for Frontier Science Beihang University Center for Quantum Physics and Intelligent Sciences Department of Physics Capital Normal University

A biological potassium channel is> 1000 times more permeable to K+than to Na+and exhibits a giant permeation rate of ～10～8 ions/*** is a great challenge to construct artificial potassium channels with such high sele ctivity and ion conduction ***,we unveil a long-overlo oked structural feature that underpins the ultra-high K+/Na+*** carrying out massive molecular dynamics simulation for ion transport through carbonyl-oxygen-modified bi-layer graphene nanopores,we find that the twisted carbonyl rings enable strict potassium selectivity with a dynamic K+/Na+selectivity ratio of 1295 and a K+conduction rate of 3.5 × 10～7 ions/s,approaching those of the biological ***,atomic trajectories of K+permeation events suggest a dual-ion transport mode,*** like-charged potassium ions are successively captured by the nanopores in the graphene bi-layer and are interconnected by sharing one or two interlayer water *** dual-ion behavior allows rapid release of the exiting potassium ion via a soft knock-on mechanism,which has previously been found only in biological ion *** a proof-of-concept utilization of this discovery,we propose a novel way for ionic power generation by mixing KCl and NaCl solutions through the bi-layer graphene nanopores,termed potassium-permselectivity enabled osmotic power generation（PoPee-OP G）.Theoretically,the biomimetic device achieves a very high power density of> 1000 W/m2with graphene sheets of <1% *** study provides a blueprint for artificial potassium channels and thus paves the way toward next-generation electric-eel-mimetic ionic power generation.

关键词： artificial ion channel bi-layer graphene dehydrated ion transport bio-inspired materials energy conversion

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Modulating nanograin size and oxygen vacancy of porous ZnO nanosheets by highly concentrated Fe-doping effect for durable visible photocatalytic disinfection

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Rare Metals 2024年第11期43卷 5905-5920页

作者： Hong-Yao Zhao Shuo Wang Hong-Yang Zhu Xiao-Xu Zhang Dan-Hong Shang Xin-Wei Zhou Jun Wang Cheng-Zhang Zhu Feng Du Yi-Yan Song Fu Yang School of Environmental and Chemical Engineering Jiangsu University of Science and TechnologyZhenjiang 212003China Department of Otolaryngology Head and Neck Surgery&Center of Sleep Medicine Shanghai JiaoTong University Affiliated Sixth People's HospitalShanghai 200233China School of Biological and Food Engineering Anhui Polytechnic UniversityWuhu 241000China School of Environmental Science and Engineering Nanjing Tech UniversityNanjing 211816China School of Materials Science and Engineering Suzhou University of Science and TechnologySuzhou 215009China Department of Clinical Laboratory The Fifth People's Hospital of SuzhouThe Affiliated Infectious Diseases Hospital of Soochow UniversitySuzhou 215000China

Visible light-driven environmentally friendly ZnO semiconductor for durable photocatalytic disinfection and purification of drinking water is very ***,the high requirement in ultraviolet absorption and rapid recombination velocity of the photogenerated electron-hole severely hamper the sustainable implementation of ZnO in ***,by one"two birds with one stone"strategy,Fe-doping ZnO porous nanosheets(Fe-ZnOPN)composed of ultrafine nanoparticles can be constructed by hydrothermal synthesis of basic zinc carbonate and controlled low-temperature pyrolytic *** highly concentrated Fe-doping effect(>7 wt%),the tailoring ZnO nanograin size(~10 nm)and rich oxygen vacancy of catalyst were accessed by ion/vacancy diffusion and nanocrystal rearrangement,superior to the ZnO porous nanosheets(~37 nm).The obtained Fe-ZnOPN were endowed with a larger specific surface area,improved visible light harvesting ability,light response and separation of charge *** characters allowed the resulting catalyst to afford a 100%bactericidal efficiency against Pseudomonas aeruginosa and Staphylococcus aureus under visible light irradiation(>420 nm).Impressively,the Fe-ZnOPN could show practical disinfection ability in different water resources and multiple reuse *** mechanism study revealed that excellent photocatalytic disinfection performance of Fe-ZnOPN correlated with the in situ generated active oxidative substances,destruction of bacterial biofilm and resulting nucleic acids leakage,thereby causing irreversible physical *** study provided a new reference for designing environmentally friendly photocatalytic sterilization materials and disinfectants,which can be used in the practical disinfection of drinking water.

关键词： Photocatalytic disinfection ZnO porous nanosheet Oxygen vacancy Fe doping Practical water disinfection

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Unassisted photoelectrochemical CO_(2)reduction by employingⅢ-Ⅴphotoelectrode with 15%solar-to-fuel efficiency

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Carbon Energy 2025年第3期7卷 1-10页

作者： Karthik Peramaiah Purushothaman Varadhan Vinoth Ramalingam Bilawal Khan Pradip Kumar Das Hao Huang Hui-Chun Fu Xiulin Yang Vincent Tung Kuo-Wei Huang Jr-Hau He Chemistry Program Center for Renewable Energy and Storage Technologies(CREST)and Division of Physical Science and EngineeringKing Abdullah University of Science and Technology(KAUST)ThuwalSaudi Arabia Institute of Sustainability for Chemicals Energyand Environment(ISCE2)Agency for ScienceTechnologyand Research(A*STAR)Singapore School of Computing Engineering and TechnologyRobert Gordon UniversityAberdeenUK Department of Materials Science and Engineering City University of Hong KongKowloonSARHong KongChina Guangxi Key Laboratory of Low Carbon Energy Materials School of Chemistry and Pharmaceutical SciencesGuangxi Normal UniversityGuilinChina Department of Chemical System and Engineering University of TokyoTokyoJapan

Solar-driven carbon dioxide reduction reaction(CO_(2)RR)provides an oppor tunity to produce value-added chemical feedstocks and ***,achieving efficient and stable photoelectrochemical(PEC)CO_(2)RR into selec tive products is challenging owing to the difficulties associated with the optical and the electrical configuration of PEC devices and electrocatalyst ***,we construct an efficient,concentrated sunlight-driven CO_(2)RR setup consisting of InGaP/GaAs/Ge triple-junction cell as a photoanode and oxide-derived Au(Ox-Au)as a cathode to perform the unassisted PEC CO_(2)*** one-sun illumination,a maximum operating current density of 11.5 mA cm^(-2) with an impressive Faradaic efficiency(FE)of~98%is achieved for carbon monoxide(CO)production,leading to a solar-to-fuel conversion efficiency of~15%.Under concentrated intensity of 10 sun,the photoanode records a maximum current density of~124 mAcm^(-2) and maintains~60%of FE for CO *** results demonstrate crucial advancements in usingⅢ-Ⅴbased photoanodes for concentrated PEC CO_(2)RR.

关键词： 3J photoanode CO_(2)reduction high STF unassisted PEC

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Advances in 2D/2D MXenes-based heterostructures for energy storage/conversion applications

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Journal of materials science & Technology 2024年第35期202卷 82-118页

作者： Faiza Bibi Irfan Ali Soomro Abdul Hanan Muhammad Nazim Lakhan Amjad Khan Naila Riaz Goraya Zaeem Ur Rehman Iftikhar Hussain Kaili Zhang Sunway Centre for Electrochemical Energy and Sustainable Technology(SCEEST) School of Engineering and TechnologySunway UniversitySelangorMalaysia State Key Laboratory of Chemical Resource Engineering Institute of Computational ChemistryCollege of ChemistryBeijing University of Chemical TechnologyBeijing 100029China Applied Chemistry and Environmental Science School of ScienceSTEM CollegeRMIT UniversityMelbourneVICAustralia Korea University of Technology and Education South Korea COMSATS University Islamabad Lahore(CUI)CampusPakistan Institute of Metallurgy&Materials Engineering Faculty of Chemical and Materials EngineeringUniversity of the PunjabPakistan Department of Mechanical Engineering City University of Hong Kong83 Tat Chee AvenueKowloonHong KongChina

MXene-based 2D heterostructures have emerged as a highly promising area of research in the field of energy storage and conversion,owing to their exceptional properties and *** comprehensive review aims to highlight the recent advancements and challenges associated with tailoring MXene-based *** review focuses on the progress made in the past decade regarding 2D/2D MXene-based heterostructures for energy storage/*** influence of interfacial interactions,electronic conductivity,ion diffusion pathways,and surface chemistry on the performance of these heterostructures in supercapacitors,batteries,and water-splitting reactions have been critically *** considering these factors,researchers gain insights into the design principles and optimization strategies for MXene-based *** understanding the progress made and the existing challenges,researchers can further explore the vast potential of MXene heterostructures and contribute to the development of next-generation energy storage and conversion technologies.

关键词： 2D materials 2D MXenes Heterostructures Energy storage Energy conversion

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DNA-based supramolecular hydrogels:From construction strategies to biomedical applications

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Chinese chemical Letters 2023年第12期34卷 76-86页

作者： Ping Chen Chenhong Yu Jie Chen Lijin Xu Huajie Liu jiangsu Engineering Laboratory for Environmental Functional Materials Jiangsu Key Lab for Chemistry of Low-Dimensional MaterialsSchool of Chemistry and Chemical EngineeringHuaiyin Normal UniversityHuaian 223300China School of Chemical Science and Engineering Shanghai Research Institute for Intelligent Autonomous SystemsKey Laboratory of Advanced Civil Engineering Materials of Ministry of EducationTongji UniversityShanghai 200092China Department of Chemistry Renmin University of ChinaBeijing 100872China

DNA-based supramolecular hydrogels are important and promising biomaterials for various applications due to their inherent biocompatibility and tunable physicochemical *** three-dimensional supramolecular matrix of DNA formed by non-covalently dynamic cross-linking provides exceptional adaptability,self-healing,injectable and responsive properties for *** addition,DNA hydrogels are also ideal bio-scaffold materials owing to their tissue-like mechanics and intrinsic biological ***,DNA can assemble into supramolecular networks by pure complementary base pairing;it can also be combined with other building blocks to construct hybrid *** review focuses on the development and construction strategies of DNA *** and synthesis methods,diverse responsiveness and biomedical applications are ***,the challenges and prospects of DNA-based supramolecular hydrogels are discussed.

关键词： DNA hydrogels Supramolecular hydrogels Self-assembly DNA nanotechnology Biomedical applications

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Nitrogen Configuration Effects on Charge Carrier Dynamics in CsPbBr3/Carbon Dots S-Scheme Heterojunction for Photocatalytic CO2 Reduction

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Journal of Physical Chemistry Letters 2024年第21期15卷 5728-5737页

作者： Tsai, Kai-An Chang, Yao-Jen Li, Yu-Chieh Zheng, Meng-Wei Chang, Jui-Cheng Liu, Shou-Heng Tseng, Shih-Wen Li, Yan Pu, Ying-Chih Department of Materials Science National University of Tainan Tainan70005 Taiwan Department of Environmental Engineering National Cheng Kung University Tainan70101 Taiwan Department of Chemical Engineering and R&D Center for Membrane Technology Chung Yuan Christian University Taoyuan320314 Taiwan Core Facility Center of National Cheng Kung University Tainan70101 Taiwan School of Materials Science and Engineering University of Science and Technology Beijing Beijing100083 China

Nitrogen-doped carbon dots (NCDs) featuring primary pyrrolic N and pyridinic N dominated configurations were prepared using hydrothermal (H-NCDs) and microwave (M-NCDs) methods, respectively. These H-NCDs and M-NCDs were subsequently applied to decorate CsPbBr3 nanocrystals (CPB NCs) individually, using a ligand-assisted reprecipitation process. Both CPB/M-NCDs and CPB/H-NCDs nanoheterostructures (NHSs) exhibited S-scheme charge transfer behavior, which enhanced their performance in photocatalytic CO2 reduction and selectivity of CO2-to-CH4 conversion, compared to pristine CPB NCs. The presence of pyrrolic N configuration at the heterojunction of CPB/H-NCDs facilitated efficient S-scheme charge transfer, leading to a remarkable 43-fold increase in photoactivity. In contrast, CPB/M-NCDs showed only a modest 3-fold enhancement in photoactivity, which was attributed to electron trapping by pyridinic N at the heterojunction. The study offers crucial insights into charge carrier dynamics within perovskite/carbon NHSs at the molecular level to advance the understanding of solar fuel generation. © 2024 American chemical Society.

关键词： Heterojunctions

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Hierarchical Homochiral Assembly of Polyhedral Cage-Type Nanoclusters

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CCS Chemistry 2024年第10期6卷 2537-2548页

作者： Cheng-Long Deng Bao-Liang Han Ze-Yu Liu Zhong-Hua Pan Jiao He Yu-Long Li Zhi-Lin Yang Geng-Geng Luo Chen-Ho Tung Di Sun Lan-Sun Zheng Key Laboratory of Environmentally Friendly Function Materials Ministry of EducationCollege of Materials Science and EngineeringHuaqiao UniversityXiamen 361021 School of Chemistry and Chemical Engineering State Key Laboratory of Crystal MaterialsShandong UniversityJi’nan 250100 College of Physical Science and Technology Xiamen UniversityXiamen 361005 College of Chemistry and Environmental Engineering Sichuan University of Science and EngineeringZigong 643000 State Key Laboratory for Physical Chemistry of Solid Surfaces Department of ChemistryCollege of Chemistry and Chemical EngineeringXiamen UniversityXiamen 361005

Hierarchical chiral self-assembly is of profound significance for biomolecules for their biological ***-precise metal nanoclusters(NCs)offer better opportunities to construct hierarchical ***,achieving hierarchical homochiral assembly of nanocrystals protected by achiral ligands has proven to be a formidable task,with existing examples primarily limited to heterochiral *** we put forward a hierarchical assembly strategy towards precisely fabricating highly ordered homochiral ***,clusterin-nanocage type copper-hydride NCs act as synthons,of which entity is featured with a hexagonal close-packed Cu_(9)kernel embedded in a C_(3)-symmetric trigonal-prismatic metallacage,leading to a chiral core-shell primary structure with either P or M *** four homochiral NCs combined with guests through synergistic noncovalent interactions spontaneously organize into a supramolecular tetrahedral secondary structure within a unit ***,these nanoscopic supramolecular motifs pack into tertiary hierarchical superlattice of chiral cubic crystalline ***,the crystalline material shows excellent robustness,and fascinating blueexcitable near-infrared thermally activated delayed fluorescence *** work not only exhibits that nanocage-type NCs can be smart as proteins to translate chiral primary structure into tertiary chiral hierarchical complexity,but also provides new insights into structure-to-superstructure,enabling bottom-up creation of higher-level hierarchical homochiral superlattice structures.

关键词： polyhydrido copper nanoclusters chiral polyhedral metallacage hierarchical homochiral assembly thermally activated delayed fluorescence

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Bio-inspired Smart Composites with Multi-scale Architecture and Surface engineering 23

Bio-inspired Smart Composites with Multi-scale Architecture ...

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23rd International Conference on Composite materials, ICCM 2023

作者： Zeng, Songshan Shen, Kuangyu Li, Rui Smith, Andrew Zhang, Dianyun Sun, Luyi Polymer Program Institute of Materials Science Department of Chemical & Biomolecular Engineering University of Connecticut United States

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