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Ab initio density functional theory approach to warm dense hydrogen:From density response to electronic correlations
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作者 Zhandos A.Moldabekov Xuecheng Shao +5 位作者 Hannah M.Bellenbaum Cheng Ma Wenhui Mi Sebastian Schwalbe Jan Vorberger Tobias Dornheim 《Matter and Radiation at Extremes》 2026年第2期14-20,共7页
Understanding the properties of warm dense hydrogen is of key importance for the modeling of compact astrophysical objects and to understand and further optimize inertial confinement fusion applications.The workhorse ... Understanding the properties of warm dense hydrogen is of key importance for the modeling of compact astrophysical objects and to understand and further optimize inertial confinement fusion applications.The workhorse of warm dense matter theory is thermal density functional theory(DFT),which,however,suffers from two limitations:(i)its accuracy can depend on the utilized exchange-correlation functional,which has to be approximated,and(ii)it is generally limited to single-electron properties such as the density distribution.Here,we present a new ansatz combining time-dependent DFT results for the dynamic structure factor S_(ee)(q,ω)with static DFT results for the density response.This allows us to estimate the electron-electron static structure factor S_(ee)(q)of warm dense hydrogen with high accuracy over a broad range of densities and temperatures.In addition to its value for the study of warm dense matter,our work opens up new avenues for the future study of electronic correlations exclusively within the framework of DFT for a host of applications. 展开更多
关键词 thermal density functional theory dft whichhoweversuffers understanding properties warm dense hydrogen thermal density functional theory understand further optimize inertial confinement fusion applicationsthe warm dense matter theory electronic correlations warm dense hydrogen density functional theory
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Preface for special issue on smart nanomedicines for overcoming biological barriers and improving delivery efficiency
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作者 Xin Li Yong Hu +1 位作者 Xiangyang Shi Andrij Pich 《Journal of Pharmaceutical Analysis》 CSCD 2024年第12期1725-1727,共3页
In 2023,Nobel Prize in Physiology/Medicine awarded the mRNA vaccine technology.The synthetic vaccine prepared by encapsu-lating the modified mRNA within cationic lipid nanocarriers signif-icantly reduces the risk of d... In 2023,Nobel Prize in Physiology/Medicine awarded the mRNA vaccine technology.The synthetic vaccine prepared by encapsu-lating the modified mRNA within cationic lipid nanocarriers signif-icantly reduces the risk of death from coronavirus disease 2019(COVID-19).In 2024,Kavli Prize recognizes the pioneering work of integrating engineered nanocarriers with biological functions for biomedical applications.The development of nanomedicine has changed the ways we approach the fundamental understand-ing,diagnosis,treatment,and prevention of diseases.These suc-cessful cases brought great excitement to the field of nanomedicine;however,many challenges still remain.In particular,it is critical to optimize nanocarriers to improve delivery effi-ciency and selectivity as well as reduce toxic side effects. 展开更多
关键词 biological barriers biomedical applicationsthe integrating engineered nanocarriers biological functions synthetic vaccine cationic lipid nanocarriers mrna vaccine modified mrna smart nanomedicines
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High thermoelectric efficiency in monolayer PbI_(2)from 300 K to 900 K
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作者 Bo Peng Haodong Mei +6 位作者 Hao Zhang Hezhu Shao Ke Xu Gang Ni Qingyuan Jin Costas MSoukoulis Heyuan Zhu 《Inorganic Chemistry Frontiers》 2019年第4期920-928,共9页
By using a first-principles approach,monolayer PbI_(2)is found to have great potential in thermoelectric applications.The linear Boltzmann transport equation is applied to obtain the perturbation to the electron distr... By using a first-principles approach,monolayer PbI_(2)is found to have great potential in thermoelectric applications.The linear Boltzmann transport equation is applied to obtain the perturbation to the electron distribution by different scattering mechanisms.The mobility is mainly limited by the deformation-potential interaction with long-wavelength acoustic vibrations at low carrier concentrations.At high concentrations,ionized impurity scattering becomes stronger.The electrical conductivity and Seebeck coefficient are calculated accurately over various ranges of temperature and carrier concentration.The lattice thermal conductivity of PbI_(2),0.065 W m^(−1)K^(−1)at 300 K,is the lowest among other 2D thermoelectric materials.Such ultralow thermal conductivity is attributed to large atomic mass,weak interatomic bonding,strong anharmonicity,and localized vibrations in which the vast majority of heat is trapped.These electrical and phonon transport properties enable a high thermoelectric figure of merit over 1 for both p-type and n-type doping from 300 K to 900 K.A maximum zT of 4.9 is achieved at 900 K with an electron concentration of 1.9×10^(12)cm^(−2).Our work shows exceptionally good thermoelectric energy conversion efficiency in monolayer PbI_(2),which can be integrated to the existing photovoltaic devices. 展开更多
关键词 thermoelectric applicationsthe perturbation electron distribution seebeck coe linear boltzmann transport equation scattering mechanismsthe thermoelectric efficiency monolayer pbi impurity scattering
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Non-aqueous electrowetting liquid lens with centimeter-level large aperture based on dielectric failure suppression principle 被引量:1
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作者 You-Ran Zhao Zhao-Song Li +6 位作者 Yi Zheng Di Wang Xiao-Ke Lu Yu-Cheng Lin Hao-Ran Zhang Chao Liu Qiong-Hua Wang 《Light: Science & Applications》 2025年第5期1244-1255,共12页
Liquid lens offers a novel approach to achieving large depth of field,wide viewing angle,high speed,and high-quality imaging in zoom optical systems.However,the aperture and reliability limit the lens’s performance i... Liquid lens offers a novel approach to achieving large depth of field,wide viewing angle,high speed,and high-quality imaging in zoom optical systems.However,the aperture and reliability limit the lens’s performance in various optical applications.The liquid material is crucial for the reliability of the large-aperture liquid lens.To solve the dielectric failure problem associated with the large aperture,we first reveal the mechanism of dielectric failure based on the transport properties of electrolyte solutions and the impact of electrochemical reaction rates from physical chemistry so as to propose a theoretical method to suppress dielectric failure fundamentally.Based on this theory,we develop a series of non-aqueous organic solutions to suppress high-voltage dielectric failure.Next,we identify the optimal formulation for comprehensive optical performance and fabricate a centimeter-level large-aperture electrowetting liquid lens.This lens features an optical power variation range of−11.98m^(−1) to 12.93m^(−1),with clear and high-quality imaging function,which can enlarge the field of view and depth adjustment range of holographic reconstructions while maintaining excellent edge clarity of the reconstructed images.The proposed centimeter-level large-aperture non-aqueous electrowetting liquid lens effectively suppresses dielectric failure under high voltage,demonstrates excellent optical performance,and holds exciting potential for applications in 3D display,precision measurement,biomedical observation,and more. 展开更多
关键词 liquid lens liquid material liquid lensto mechanism dielectric failure electrolyte soluti zoom optical systemshoweverthe optical applicationsthe
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