PADDLE-WHEEL

作品数：6被引量：5H指数：2
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相关期刊：《Journal of Rare Earths》《Chinese Journal of Chemical Physics》《Carbon Energy》《Chinese Journal of Structural Chemistry》更多>>
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Exploring dopant-enhanced ionic conductivity of AgCl-doped Li_(7)P_(3)S_(11) solid electrolytes: Integrating synchrotron Rietveld analysis, DFT, and ANN-based molecular dynamics approaches
《Carbon Energy》2024年第11期113-125,共13页Yong‐Seok Choi Youngin Lee Hyuna Ahn Jiwon Jeong Kyung YoonChung David OScanlon Jae‐Chul Lee 
National Research Foundation of Korea,Grant/A ward Numbers:MEST,NRF-2021R1A2C2009596;Engineeringand Physical Sciences Research Council,Grant/A ward Numbers:EP/R029431,EP/P020194,EP/T022213;Korea government(Ministry of Science and ICT,MSIT),Grant/Award Number:RS-2023-00236572;European Research Council,ERC,Grant/Award Numbers:EP/R029431,EP/P020194,EP/T022213。
The effectiveness of dual-doping as a method of improving the conductivity of sulfide solid electrolytes(SEs)is not in doubt;however,the atomic-level mechanisms underpinning these enhancements remain elusive.In this s...
关键词：density functional theory molecular dynamnics paddle-wheel dynamics sulfide solid electrolytes synchrotron Rietveld analysis 
Li-ion transport mechanisms in Ge/Cl dual-doped Li_(10)GeP_(2)S_(12) solid electrolytes:Synergistic insights from experimental structural characterization and machine-learning-assisted atomistic modeling
《Carbon Energy》2024年第10期166-178,共13页Yong-Seok Choi Jiwon Jeong Youngin Lee Hyuna Ahn David O.Scanlon Kyung Yoon Chung Jae-Chul Lee 
European Research Council,Grant/Award Number:758345;National Research Foundation of Korea,Grant/Award Numbers:NRF-2021R1A2C2009596,RS-2023-00236572,NRF-2022M3J1A1054151;Engineering and Physical Sciences Research Council,Grant/Award Numbers:EP/R029431,EP/P020194,EP/T022213。
Enhancing the ionic conductivity of sulfide solid electrolytes(SEs)through dual-doping is a well-established approach,yet the atomic-level mechanisms driving these improvements remain elusive.By dual-doping Ge and Cl ...
关键词：cooperative hopping DFT calculations molecular dynamic simulations PADDLE-WHEEL 
Solvent Effects on Excited-State Relaxation Dynamics of Paddle-Wheel BODIPY-Hexaoxatriphenylene Conjugates:Insights from Non-adiabatic Dynamics Simulations
《Chinese Journal of Chemical Physics》2022年第1期117-128,I0015-I0034,I0063,共33页Wen-Kai Chen Ganglong Cui Xiang-Yang Liu 
supported by the National Natural Science Foundation of China(No.22003043 for Xiang-Yang Liu);the National Natural Science Foundation of China(No.21688102,No.21590801,and No.21520102005 for Ganglong Cui);Sichuan Science and Technology Program(No.2020YJ0161 for Xiang-Yang Liu);the High Performance Computing Center of Sichuan Normal University。
Understanding the excited state dynamics of donor-acceptor(D-A)complexes is of fundamental importance both experimentally and theoretically.Herein,we have first explored the photoinduced dynamics of a recently synthes...
关键词：Donor-Acceptor conjugate BF_(2)-chelated dipyrromethene Solvent effect Non-adiabatic dynmamics EXCITED-STATE 
A series of rare earth coordination polymer constructed from paddle-wheel building blocks被引量：2
《Journal of Rare Earths》2008年第5期633-637,共5页郭广生 刘阳春 张佳 郭洪猷 
the National Natural Science Foundation of China (20571007)
Three coordination polymers, Ln2（bpdc）3（phen）2（H2O）2 （Ln=Nd（1）, Eu（2）, and Tb （3）; bpdc=2,2＇-bipyridine-3,3＇-dicarboxylate; phen=1,10-phenanthroline）, were obtained by hydrothermal reaction of Ln2O3 wi...
关键词：hydrothermal reaction coordination polymer X-ray diffraction PHOTOLUMINESCENCE rare earths 
Hydrothermal Synthesis of a 1D Paddle-wheel Cu(Ⅱ) Coordination Polymer {[Cu_2(NBDOA)_2·(H_2O)_2]·2(H_2O)}_n Constructed by Flexible Carboxylic Acid被引量：2
《Chinese Journal of Structural Chemistry》2007年第10期1135-1138,共4页于伟 杨利 张同来 张建国 刘振华 任夫健 胡晓春 吴瑞凤 
the National Natural Science Foundation of China (No.20471008);the Excellent Young Scholars Research Fund of Beijing Institute of Technology (No.000Y02-8)
A 1-D paddle-wheel copper （Ⅱ） coordination polymer constructed by 2-nitrobenzene-1,4-di（oxyacetic） acid has been synthesized by hydrothermal reaction, and its crystal structure was determined by X-ray diffraction...
关键词：copper crystal structure 2-nitro-benzene-1 4-di（oxyacetic） acid MICROPOROUS 
Crystal Structure of catena-[(Tetrakis-μ_2-acetato-μ_2-4,4'-bipyridine) dicopper(Ⅱ)] Acetonitrile Solvate被引量：1
《Chinese Journal of Structural Chemistry》2007年第1期29-32,共4页温一航 何银华 冯云龙 NG Seik Weng 
The work was supported by the Zhejiang Key Laboratory for Reactive Chemistry on Solid Surfaces (No. 0506) and the University of Malaya (F0712/2005c)
The title compound, [Cu2（CH3COO）4（C8H10N2）]n·nCH3CN 1 （C8H10N2, 4,4＇-bipy = 4,4＇-bipyridine）, has been solvothermally synthesized in CH3CN and characterized by X-ray diffraction. The crystal is of monoclinic,...
关键词：Cu complex paddle-wheel unit crystal strueture guest molecule 
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