All-solid-state batteries(ASSBs)are a class of safer and higher-energy-density materials compared to conventional devices,from which solid-state electrolytes(SSEs)are their essential components.To date,investigations ...All-solid-state batteries(ASSBs)are a class of safer and higher-energy-density materials compared to conventional devices,from which solid-state electrolytes(SSEs)are their essential components.To date,investigations to search for high ion-conducting solid-state electrolytes have attracted broad concern.However,obtaining SSEs with high ionic conductivity is challenging due to the complex structural information and the less-explored structure-performance relationship.To provide a solution to these challenges,developing a database containing typical SSEs from available experimental reports would be a new avenue to understand the structureperformance relationships and find out new design guidelines for reasonable SSEs.Herein,a dynamic experimental database containing>600 materials was developed in a wide range of temperatures(132.40–1261.60 K),including mono-and divalent cations(e.g.,Li^(+),Na^(+),K^(+),Ag^(+),Ca^(2+),Mg^(2+),and Zn^(2+))and various types of anions(e.g.,halide,hydride,sulfide,and oxide).Data-mining was conducted to explore the relationships among different variates(e.g.,transport ion,composition,activation energy,and conductivity).Overall,we expect that this database can provide essential guidelines for the design and development of high-performance SSEs in ASSB applications.This database is dynamically updated,which can be accessed via our open-source online system.展开更多
Due to ever-increasing concern about safety issues in using alkali metal ionic batteries, all solid-state batteries (ASSBs) have attracted tremendous attention. The foundation to enable high-performance ASSBs lies in ...Due to ever-increasing concern about safety issues in using alkali metal ionic batteries, all solid-state batteries (ASSBs) have attracted tremendous attention. The foundation to enable high-performance ASSBs lies in delivering ultra-fast ionic conductors that are compatible with both alkali anodes and high-voltage cathodes. Such a challenging task cannot be fulfilled, without solid understanding covering materials stability and properties, interfacial reactions, structural integrity, and electrochemical windows. Here in this work, we will review recent advances on fundamental modeling in the framework of material genome initiative based on the density functional theory (DFT), focusing on solid alkali batteries. Efforts are made in offering a dependable road chart to formulate competitive materials and construct "better" batteries.展开更多
AsSb alloy(0.70−95.81 wt.%As)was prepared by electrodeposition in As(III)and Sb(III)contained electrolytes.The influence of electrolyte composition,hydrochloric acid concentration,and temperature on the composition an...AsSb alloy(0.70−95.81 wt.%As)was prepared by electrodeposition in As(III)and Sb(III)contained electrolytes.The influence of electrolyte composition,hydrochloric acid concentration,and temperature on the composition and structure of AsSb deposits was studied.The electroreduction mechanism of As(III)and Sb(III)in hydrochloric acid solution was revealed via thermodynamic analysis.The results show that the increase of H+concentration promotes the reduction of As(III),while the increase of Cl^(−)concentration significantly inhibits the reduction of Sb(III).As a result,the As content in deposits increases gradually with the increase of hydrochloric acid concentration.Simultaneously,the phase structure of AsSb deposits evolves from crystalline to amorphous.When the As content is 24.55−33.75 wt.%,AsSb mixed crystal is obtained.The electrolysis temperature has little effect on the deposits composition,but the structure of deposits evolves from crystalline to amorphous with decreasing the temperature.展开更多
基金supported by the Ensemble Grant for Early Career Researchers 2022 and the 2023 Ensemble Continuation Grant of Tohoku University,the Hirose Foundation,the Iwatani Naoji Foundation,and the AIMR Fusion Research Grantsupported by JSPS KAKENHI Nos.JP23K13599,JP23K13703,JP22H01803,and JP18H05513+2 种基金the Center for Computational Materials Science,Institute for Materials Research,Tohoku University for the use of MASAMUNEIMR(Nos.202212-SCKXX0204 and 202208-SCKXX-0212)the Institute for Solid State Physics(ISSP)at the University of Tokyo for the use of their supercomputersthe China Scholarship Council(CSC)fund to pursue studies in Japan.
文摘All-solid-state batteries(ASSBs)are a class of safer and higher-energy-density materials compared to conventional devices,from which solid-state electrolytes(SSEs)are their essential components.To date,investigations to search for high ion-conducting solid-state electrolytes have attracted broad concern.However,obtaining SSEs with high ionic conductivity is challenging due to the complex structural information and the less-explored structure-performance relationship.To provide a solution to these challenges,developing a database containing typical SSEs from available experimental reports would be a new avenue to understand the structureperformance relationships and find out new design guidelines for reasonable SSEs.Herein,a dynamic experimental database containing>600 materials was developed in a wide range of temperatures(132.40–1261.60 K),including mono-and divalent cations(e.g.,Li^(+),Na^(+),K^(+),Ag^(+),Ca^(2+),Mg^(2+),and Zn^(2+))and various types of anions(e.g.,halide,hydride,sulfide,and oxide).Data-mining was conducted to explore the relationships among different variates(e.g.,transport ion,composition,activation energy,and conductivity).Overall,we expect that this database can provide essential guidelines for the design and development of high-performance SSEs in ASSB applications.This database is dynamically updated,which can be accessed via our open-source online system.
基金supported in part by the Zhengzhou Materials Genome Institute,the National Natural Science Foundation of China(No.51001091,111174256,91233101,51602094,51602290,11274100)the Fundamental Research Program from the Ministry of Science and Technology of China(no.2014CB931704)
文摘Due to ever-increasing concern about safety issues in using alkali metal ionic batteries, all solid-state batteries (ASSBs) have attracted tremendous attention. The foundation to enable high-performance ASSBs lies in delivering ultra-fast ionic conductors that are compatible with both alkali anodes and high-voltage cathodes. Such a challenging task cannot be fulfilled, without solid understanding covering materials stability and properties, interfacial reactions, structural integrity, and electrochemical windows. Here in this work, we will review recent advances on fundamental modeling in the framework of material genome initiative based on the density functional theory (DFT), focusing on solid alkali batteries. Efforts are made in offering a dependable road chart to formulate competitive materials and construct "better" batteries.
基金The authors are grateful for the financial supports from the National Natural Science Foundation of China(No.51374185).
文摘AsSb alloy(0.70−95.81 wt.%As)was prepared by electrodeposition in As(III)and Sb(III)contained electrolytes.The influence of electrolyte composition,hydrochloric acid concentration,and temperature on the composition and structure of AsSb deposits was studied.The electroreduction mechanism of As(III)and Sb(III)in hydrochloric acid solution was revealed via thermodynamic analysis.The results show that the increase of H+concentration promotes the reduction of As(III),while the increase of Cl^(−)concentration significantly inhibits the reduction of Sb(III).As a result,the As content in deposits increases gradually with the increase of hydrochloric acid concentration.Simultaneously,the phase structure of AsSb deposits evolves from crystalline to amorphous.When the As content is 24.55−33.75 wt.%,AsSb mixed crystal is obtained.The electrolysis temperature has little effect on the deposits composition,but the structure of deposits evolves from crystalline to amorphous with decreasing the temperature.
