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Quantitative Structure-Activity Relationships in the Lithium and Sodium Affinities of n-Alkyl Fluorides
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作者 Ke Chun ZHANG Jian Miao FAN +1 位作者 Lei LIU Qing Xiang GUO 《Chinese Chemical Letters》 SCIE CAS CSCD 2002年第1期41-44,共4页
B3LYP/6-31+g (d, p) method was used to calculate the lithium and sodium affinities of n-alkyl fluoride. These affinities were found to obey the Holmes relationship, i.e. they correlate linearly with the quotient n/(n... B3LYP/6-31+g (d, p) method was used to calculate the lithium and sodium affinities of n-alkyl fluoride. These affinities were found to obey the Holmes relationship, i.e. they correlate linearly with the quotient n/(n+1), where n is the number of carbon atoms in the alkyl chain. From the correlation the limiting values of lithium and sodium affinities for very long alkyl chain were predicted to be 153.3 kJ/mol and 108.4 kJ/mol, respectively. 展开更多
关键词 Lithium affinity sodium affinity density functional theory C-F卪etal interaction ion attachment.
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3D uniform nitrogen-doped carbon skeleton for ultra-stable sodium metal anode 被引量:7
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作者 Ben Liu Danni Lei +8 位作者 Jin Wang Qingfei Zhang Yinggan Zhang Wei He Hongfei Zheng Baisheng Sa Qingshui Xie Dong-Liang Peng Baihua Qu 《Nano Research》 SCIE EI CAS CSCD 2020年第8期2136-2142,共7页
Sodium metal batteries are arousing extensive interest owing to their high energy density,low cost and wide resource.However,the practical development of sodium metal batteries is inherently plagued by the severe volu... Sodium metal batteries are arousing extensive interest owing to their high energy density,low cost and wide resource.However,the practical development of sodium metal batteries is inherently plagued by the severe volume expansion and the dendrite growth of sodium metal anode during long cycles under high current density.Herein,a simple electrospinning method is applied to construct the uniformly nitrogen-doped porous carbon fiber skeleton and used as three-dimensional(3D)current collector for sodium metal anode,which has high specific surface area(1,098 m^2/g)and strong binding to sodium metal.As a result,nitrogen-doped carbon fiber current collector shows a low sodium deposition overpotential and a highly stable cyclability for 3,500 h with a high coulombic effciency of 99.9%at 2 mA/cm^2 and 2 mAh/cm^2.Moreover,the full cells using carbon coated sodium vanadium phosphate as cathode and sodium pre-plated nitrogen-doped carbon fiber skeleton as hybrid anode can stably cycle for 300 times.These results illustrate an effective strategy to construct a 3D uniformly nitrogen-doped carbon skeleton based sodium metal hybrid anode without the formation of dendrites,which provide a prospect for further development and research of high performance sodium metal batteries. 展开更多
关键词 sodium metal anode porous carbon skeleton NITROGEN-DOPING sodium affinity ultra-stable cyclability
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