LiFePO_(4),as a prevailing cathode material for lithium-ion batteries(LIBs),still encounters issues such as intrinsic poor electronic conductivity,inferior Li-ion diffusion kinetic,and two-phase transformation mechani...LiFePO_(4),as a prevailing cathode material for lithium-ion batteries(LIBs),still encounters issues such as intrinsic poor electronic conductivity,inferior Li-ion diffusion kinetic,and two-phase transformation mechanism involving substantial structural rearrangements,resulting in unsatisfactory rate performance.Carbon coating,cation doping,and morphological control have been widely employed to reconcile these issues.Inspired by these,we propose a synthetic route with metal–organic frameworks(MOFs)as self-sacrificial templates to simultaneously realize shape modulation,Mn doping,and N-doped carbon coating for enhanced electrochemical performances.The as-synthesized Li MnxFe1–xPO4/C(x=0,0.25,and0.5)deliver tunable electrochemical behaviors induced by the MOF templates,among which LiMn_(0.25)Fe_(0.75)PO_(4)/C outperforms its counterparts in cyclability(164.7 mA h g^(-1)after 200 cycles at 0.5 C)and rate capability(116.3 mA h g^(-1)at 10 C).Meanwhile,the ex-situ XRD reveals a dominant single-phase solid solution mechanism of LiMn_(0.25)Fe_(0.75)PO_(4)/C during delithiation,contrary to the pristine LiFePO_(4),without major structural reconstruction,which helps to explain the superior rate performance.Furthermore,the density functional theory(DFT)calculations verify the effects of Mn doping and embody the superiority of LiMn_(0.25)Fe_(0.75)PO_(4)/C as a LIB cathode,which well supports the experimental observations.This work provides insightful guidance for the design of tunable MOF-derived mixed transitionmetal systems for advanced LIBs.展开更多
The title complex was synthesized by the reaction of taurine 、salicylic and potassium hydrate in water ethanol solution. The crystal structure was determined by X ray diffraction method and the chemical formula weigh...The title complex was synthesized by the reaction of taurine 、salicylic and potassium hydrate in water ethanol solution. The crystal structure was determined by X ray diffraction method and the chemical formula weight of the complex is 267.34. and the crystal belongs to monoclinic system with space group P21/c and cell parameters: a=2.0292(8)nm, b=0.7283(4)nm, c=0.7540(4)nm; β=94.15(1)°, V=1.1115(9)nm3, Z=4, Dc=1.598 g·cm-3, μ=0.0663mm-1, F(000)=552. Thecomplex is a lamellar compound of infinite expansion. In addition, the complex has been tested for its antibacterial active. The average diameter of complex antibacterial activing cycle: colibacillus is 9mm, pseudomonas aeruginosa is 8mm. CCDC: 194630.展开更多
We have used an ab initio self-consistent field(SCF) molecular orbital approach toinvestigate the equilibrium geometry and relative stability of C4S4m- (m=0,1,2,3,4). We foundthat the geometry of anions studied from m...We have used an ab initio self-consistent field(SCF) molecular orbital approach toinvestigate the equilibrium geometry and relative stability of C4S4m- (m=0,1,2,3,4). We foundthat the geometry of anions studied from m=0 to m=4 changes from non-aromatic structure toaromatic structure and fmally anti-aromatic structure and that the relative stability decreases inthe order of: C4S4m- > C4S42- > C4S4 > C4S4 > C4S4.展开更多
基金the financial support from the Research and Development Plan Project in Key Fields of Guangdong Province(2020B0101030005)Applied Special Project of Guangdong Provincial Science and Technology Plan(2017B090917002)+1 种基金Basic and Applied Basic Research Fund of Guangdong Province(2019B1515120027)Key R&D projects in Guangdong Province(2020B0101030005)。
文摘LiFePO_(4),as a prevailing cathode material for lithium-ion batteries(LIBs),still encounters issues such as intrinsic poor electronic conductivity,inferior Li-ion diffusion kinetic,and two-phase transformation mechanism involving substantial structural rearrangements,resulting in unsatisfactory rate performance.Carbon coating,cation doping,and morphological control have been widely employed to reconcile these issues.Inspired by these,we propose a synthetic route with metal–organic frameworks(MOFs)as self-sacrificial templates to simultaneously realize shape modulation,Mn doping,and N-doped carbon coating for enhanced electrochemical performances.The as-synthesized Li MnxFe1–xPO4/C(x=0,0.25,and0.5)deliver tunable electrochemical behaviors induced by the MOF templates,among which LiMn_(0.25)Fe_(0.75)PO_(4)/C outperforms its counterparts in cyclability(164.7 mA h g^(-1)after 200 cycles at 0.5 C)and rate capability(116.3 mA h g^(-1)at 10 C).Meanwhile,the ex-situ XRD reveals a dominant single-phase solid solution mechanism of LiMn_(0.25)Fe_(0.75)PO_(4)/C during delithiation,contrary to the pristine LiFePO_(4),without major structural reconstruction,which helps to explain the superior rate performance.Furthermore,the density functional theory(DFT)calculations verify the effects of Mn doping and embody the superiority of LiMn_(0.25)Fe_(0.75)PO_(4)/C as a LIB cathode,which well supports the experimental observations.This work provides insightful guidance for the design of tunable MOF-derived mixed transitionmetal systems for advanced LIBs.
文摘The title complex was synthesized by the reaction of taurine 、salicylic and potassium hydrate in water ethanol solution. The crystal structure was determined by X ray diffraction method and the chemical formula weight of the complex is 267.34. and the crystal belongs to monoclinic system with space group P21/c and cell parameters: a=2.0292(8)nm, b=0.7283(4)nm, c=0.7540(4)nm; β=94.15(1)°, V=1.1115(9)nm3, Z=4, Dc=1.598 g·cm-3, μ=0.0663mm-1, F(000)=552. Thecomplex is a lamellar compound of infinite expansion. In addition, the complex has been tested for its antibacterial active. The average diameter of complex antibacterial activing cycle: colibacillus is 9mm, pseudomonas aeruginosa is 8mm. CCDC: 194630.
文摘We have used an ab initio self-consistent field(SCF) molecular orbital approach toinvestigate the equilibrium geometry and relative stability of C4S4m- (m=0,1,2,3,4). We foundthat the geometry of anions studied from m=0 to m=4 changes from non-aromatic structure toaromatic structure and fmally anti-aromatic structure and that the relative stability decreases inthe order of: C4S4m- > C4S42- > C4S4 > C4S4 > C4S4.
