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Length feature of ssDNA adsorption onto graphene oxide with both large unoxidized and oxidized regions 期刊论文
NANOSCALE, 2020, 卷号: 12, 期号: 12, 页码: 6699-6707
Authors:  Lei, XL;  Ma, HS;  Fang, HP
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SINGLE-STRANDED-DNA  MOLECULAR-DYNAMICS  CARBON NANOTUBE  ATOMIC-STRUCTURE  MEMBRANES  BINDING  SURFACE  FUNCTIONALIZATION  NANOCOMPOSITES  SIMULATIONS  
Role of local coordination in bimetallic sites for oxygen reduction: A theoretical analysis 期刊论文
JOURNAL OF ENERGY CHEMISTRY, 2020, 卷号: 44, 页码: 131-137
Authors:  Yang, YQ;  Zhang, H;  Liang, ZF;  Yin, YR;  Mei, BB;  Song, F;  Sun, FF;  Gu, SQ;  Jiang, Z;  Wu, YE;  Zhu, ZY
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TOTAL-ENERGY CALCULATIONS  ACTIVE-SITES  ELECTROCATALYSTS  CATALYSTS  DESIGN  IDENTIFICATION  PERFORMANCE  CARBON  CON4  
Insight into dynamic interaction of molten MgCl2-NaCl-KCl with impurity water via FPMD simulations 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2020, 卷号: 314, 页码: -
Authors:  Li, XJ;  Liu, WH;  Tang, ZF;  Xu, TR;  Wang, JQ
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THERMAL-ENERGY STORAGE  NI-BASED ALLOYS  SOLAR POWER-PLANTS  MOLECULAR-DYNAMICS  CHLORIDE SALTS  CORROSION BEHAVIOR  LOCAL STRUCTURES  HEAT-TRANSFER  FLUORIDE  FLUIDS  
Unexpected Roles of Alkali-Metal Cations in the Assembly of Low-Valent Uranium Sulfate Molecular Complexes 期刊论文
INORGANIC CHEMISTRY, 2020, 卷号: 59, 期号: 4, 页码: 2348-2357
Authors:  Yue, ZH;  Guo, XF;  Feng, ML;  Lin, YJ;  Ju, Y;  Lin, X;  Zhang, ZH;  Guo, XJ;  Lin, J;  Huang, YY;  Wang, JQ
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STATE STRUCTURAL CHEMISTRY  DIMENSIONAL REDUCTION  CRYSTAL-STRUCTURE  FISSION-PRODUCTS  CLUSTER  HEXANUCLEAR  COORDINATION  SPECIATION  HYDROLYSIS  SELENITES  
Unrevealing the thermophysical properties and microstructural evolution of MgCl2-NaCl-KCl eutectic: FPMD simulations and experimental measurements 期刊论文
SOLAR ENERGY MATERIALS AND SOLAR CELLS, 2020, 卷号: 210, 页码: -
Authors:  Li, XJ;  Li, N;  Liu, WH;  Tang, ZF;  Wang, JQ
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MOLECULAR-DYNAMICS SIMULATIONS  TOTAL-ENERGY CALCULATIONS  TRANSPORT-PROPERTIES  LOCAL STRUCTURES  THERMAL-CONDUCTIVITY  CORROSION BEHAVIOR  MOLTEN CHLORIDE  SHEAR VISCOSITY  SALTS  
Powerful predictability of FPMD simulations for the phase transition behavior of NaCl-MgCl2 eutectic salt 期刊论文
SOLAR ENERGY, 2020, 卷号: 209, 页码: 568-575
Authors:  Xu, TR;  Li, XJ;  Guo, LL;  Wang, F;  Tang, ZF
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MOLECULAR-DYNAMICS  TRANSPORT-PROPERTIES  LOCAL STRUCTURES  NACL  
Prediction of dynamics properties of ThF4-based fluoride molten salts by molecular dynamic simulation 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2020, 卷号: 318, 页码: -
Authors:  Dai, JX;  Zhang, W;  Ren, CL;  Guo, XJ
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TRANSPORT-PROPERTIES  LOCAL STRUCTURES  1ST-PRINCIPLES DESCRIPTION  AUTOCORRELATION FUNCTION  LIQUID BEF2  REACTOR  VISCOSITY  SYSTEMS  TEMPERATURE  MIXTURES  
Achieving delafossite analog by in situ electrochemical self-reconstruction as an oxygen-evolving catalyst 期刊论文
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2020, 卷号: 117, 期号: 36, 页码: 21906-21913
Authors:  Liu, JZ;  Hu, Q;  Wang, Y;  Yang, Z;  Fan, XY;  Liu, LM;  Guo, L
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EVOLUTION  ELECTROCATALYSTS  OXIDE  OXIDATION  COOOH  CO  CONVERSION  ENERGY  PHASE  
High-performance single atom bifunctional oxygen catalysts derived from ZIF-67 superstructures 期刊论文
NANO ENERGY, 2019, 卷号: 61, 期号: -, 页码: 245—250
Authors:  Sun, XP;  Sun, SX;  Gu, SQ;  Liang, ZF;  Zhang, JX;  Yang, YQ;  Deng, Z;  Wei, P;  Peng, J;  Xu, Y;  Fang, C;  Li, Q;  Han, JT;  Jiang, Z;  Huang, YH
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METAL-ORGANIC FRAMEWORKS  REDUCTION REACTION  ACTIVE-SITES  ELECTROCATALYSTS  CARBON  EFFICIENT  IDENTIFICATION  NANOPARTICLES  ENERGY  ENCAPSULATION  
Investigation of the local structure of molten ThF4-LiF and ThF4-LiF-BeF2 mixtures by high-temperature X-ray absorption spectroscopy and molecular-dynamics simulation 期刊论文
JOURNAL OF SYNCHROTRON RADIATION, 2019, 卷号: 26, 页码: 1733-1741
Authors:  Sun, J;  Guo, XJ;  Zhou, J;  Dai, JX;  Song, SZ;  Bao, HL;  Lin, J;  Yu, HS;  He, SM;  Jiang, F;  Long, DW;  Zhang, LJ;  Wang, JQ
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FLUORIDE COMPLEX-IONS  RAMAN-SPECTRA  TRANSPORT-PROPERTIES  EXAFS MEASUREMENTS  SALT REACTOR  LANTHANIDE  THORIUM  SYSTEMS  LEAD  NMR