Density functional theory (DFT) simulation was performed to investigate the adsorption mechanisms between frothers and gas–liquid interface. In water phase, the polar head group of the frother molecule was connected ...Density functional theory (DFT) simulation was performed to investigate the adsorption mechanisms between frothers and gas–liquid interface. In water phase, the polar head group of the frother molecule was connected with water molecules by hydrogen bonding, while the non-polar group showed that hydrophobic property and water molecules around it were repelled away. The adsorption of water molecules on single frother molecule suggests that the complexes of α-terpineol-7H2O, MIBC-7H2O and DF200-13H2O reach their stable structure. The hydration shell affects both the polar head group and the non-polar group. The liquid film drainage rate of DF200 is the lowest, while α-terpineol and MIBC are almost the same. The adsorption layer of frother molecules adsorbed at the gas-liquid interface reveals that the α-terpineol molecules are more neatly arranged and better distributed. The DF200 molecules are arranged much more loosely than MIBC molecules. These results suggest that the α-terpineol molecule layer could better block the diffusion of gas through the liquid film than DF200 and MIBC. The simulation results indicate that the foam stability of α-terpineol is the best, followed by DF200 and MIBC.展开更多
It is still challenging to develop suitable cathode structures for high-rate and stable aqueous Zn-ion batteries.Herein,a phosphating-assisted interfacial engineering strategy is designed for the controllable conversi...It is still challenging to develop suitable cathode structures for high-rate and stable aqueous Zn-ion batteries.Herein,a phosphating-assisted interfacial engineering strategy is designed for the controllable conversion of NiCo_(2)S_(4) nanosheets into heterostructured NiCoP/NiCo_(2)S_(4) as the cathodes in aqueous Zn-ion batteries.The multicomponent heterostructures with rich interfaces can not only improve the electrical conductivity but also enhance the diffusion pathways for Zn-ion storage.As expected,the NiCoP/NiCo_(2)S_(4) electrode has high performance with a large specific capacity of 251.1 mA h g^(−1) at a high current density of 10 A g^(−1) and excellent rate capability(retaining about 76%even at 50 A g^(−1)).Accordingly,the Zn-ion battery using NiCoP/NiCo_(2)S_(4) as the cathode delivers a high specific capacity(265.1 mA h g^(−1) at 5 A g^(−1)),a long-term cycling stability(96.9%retention after 5000 cycles),and a competitive energy density(444.7W h kg^(−1) at the power density of 8.4 kW kg^(−1)).This work therefore provides a simple phosphating-assisted interfacial engineering strategy to construct heterostructured electrode materials with rich interfaces for the development of high-performance energy storage devices in the future.展开更多
The water-in-salt strategy successfully expands the electrochemical window of the aqueous electrolyte from1.23 to~3.0 V,which can lead to a breakthrough in the energy output of the aqueous battery system while maintai...The water-in-salt strategy successfully expands the electrochemical window of the aqueous electrolyte from1.23 to~3.0 V,which can lead to a breakthrough in the energy output of the aqueous battery system while maintaining the advantage of high safety.The expanded electrochemical window of the water-in-salt electrolytes can be ascribed to the decreased water activity and the solid electrolyte interphase formed on the anode.The solid electrolyte interphase in the aqueous system is not fully understood,and the basic composition,the structure,and the formation mechanism are still cloaked in mystery.This perspective summarizes the published research with emphasis on the most possible formation mechanism and composition of the interphase layer in the aqueous system.Further understanding of the interphase as well as rounded assessment of the water-in-salt electrolyte in practical operating conditions is encouraged.The full understanding of the interface will guide the design of aqueous electrolytes and help to build novel aqueous batteries with high safety and high energy density.展开更多
基金Projects(51574092,51874106)supported by the National Natural Science Foundation,ChinaProject supported by Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund(the second phase),China
文摘Density functional theory (DFT) simulation was performed to investigate the adsorption mechanisms between frothers and gas–liquid interface. In water phase, the polar head group of the frother molecule was connected with water molecules by hydrogen bonding, while the non-polar group showed that hydrophobic property and water molecules around it were repelled away. The adsorption of water molecules on single frother molecule suggests that the complexes of α-terpineol-7H2O, MIBC-7H2O and DF200-13H2O reach their stable structure. The hydration shell affects both the polar head group and the non-polar group. The liquid film drainage rate of DF200 is the lowest, while α-terpineol and MIBC are almost the same. The adsorption layer of frother molecules adsorbed at the gas-liquid interface reveals that the α-terpineol molecules are more neatly arranged and better distributed. The DF200 molecules are arranged much more loosely than MIBC molecules. These results suggest that the α-terpineol molecule layer could better block the diffusion of gas through the liquid film than DF200 and MIBC. The simulation results indicate that the foam stability of α-terpineol is the best, followed by DF200 and MIBC.
基金supported by the National Natural Science Foundation of China(51602049 and 51708504)China Postdoctoral Science Foundation(2017M610217 and 2018T110322)。
文摘It is still challenging to develop suitable cathode structures for high-rate and stable aqueous Zn-ion batteries.Herein,a phosphating-assisted interfacial engineering strategy is designed for the controllable conversion of NiCo_(2)S_(4) nanosheets into heterostructured NiCoP/NiCo_(2)S_(4) as the cathodes in aqueous Zn-ion batteries.The multicomponent heterostructures with rich interfaces can not only improve the electrical conductivity but also enhance the diffusion pathways for Zn-ion storage.As expected,the NiCoP/NiCo_(2)S_(4) electrode has high performance with a large specific capacity of 251.1 mA h g^(−1) at a high current density of 10 A g^(−1) and excellent rate capability(retaining about 76%even at 50 A g^(−1)).Accordingly,the Zn-ion battery using NiCoP/NiCo_(2)S_(4) as the cathode delivers a high specific capacity(265.1 mA h g^(−1) at 5 A g^(−1)),a long-term cycling stability(96.9%retention after 5000 cycles),and a competitive energy density(444.7W h kg^(−1) at the power density of 8.4 kW kg^(−1)).This work therefore provides a simple phosphating-assisted interfacial engineering strategy to construct heterostructured electrode materials with rich interfaces for the development of high-performance energy storage devices in the future.
基金supported by the National Natural Science Foundation of China(22075091 and 21773077)。
文摘The water-in-salt strategy successfully expands the electrochemical window of the aqueous electrolyte from1.23 to~3.0 V,which can lead to a breakthrough in the energy output of the aqueous battery system while maintaining the advantage of high safety.The expanded electrochemical window of the water-in-salt electrolytes can be ascribed to the decreased water activity and the solid electrolyte interphase formed on the anode.The solid electrolyte interphase in the aqueous system is not fully understood,and the basic composition,the structure,and the formation mechanism are still cloaked in mystery.This perspective summarizes the published research with emphasis on the most possible formation mechanism and composition of the interphase layer in the aqueous system.Further understanding of the interphase as well as rounded assessment of the water-in-salt electrolyte in practical operating conditions is encouraged.The full understanding of the interface will guide the design of aqueous electrolytes and help to build novel aqueous batteries with high safety and high energy density.
