This work reports on the synthesis of rare earth-doped Li₄Ti₅O12 nanosheets with high electrochemical performance as anode material both in Li half and Li₄Ti₅O12/LiFePO₄ full cell batteries. Through the combination of decreasing the particle size and doping by rare earth atoms (Ce and La), Ce and La doped Li₄Ti₅O12 nanosheets show the excellent electrochemical performance in terms of high speci...

Here we present an ultraviolet responsive inorganic-organic hybrid solar cell based on titania/poly(3-hexylthiophene) (TiO(2)/P3HT) heterojuction. In this solar cell, TiO(2) is an ultraviolet light absorber and electronic conductor, P3HT is a hole conductor, the light-to-electrical conversion is realized by the cooperation for these two components. Doping ionic salt in P3HT polymer can improve ...

In this work, we investigated the effect of Rb and Ta doping on the ionic conductivity and stability of the garnet Li7+2x−y(La3−xRbx)(Zr2−yTay)O12 (0 ≤ x ≤ 0.375, 0 ≤ y ≤ 1) superionic conductor using first principles calculations. Our results indicate that doping does not greatly alter the topology of the migration pathway, but instead acts primarily to change the lithium concentration. The st...

Since Li4Ti5O12 as a promising anode material in lithium-ion batteries (LIBs) has a poor rate performance due to low electronic conductivity, a doping of Li4Ti5O12 with heterogeneous atoms has been considered to overcome this problem. Herein, we report that there is an upper limit of doping level to maintain the zero strain characteristics of Li4Ti5O12 lattice during charge/discharge process. B...

In this paper, we present a systematic study of the effects of p- and n-doping in small molecules on the voltage and capacity of organic electrode materials for electrochemical batteries. In particular, coronene, phenalene derivatives as well as disodium terephthalate and related fused ring derivatives, representing often used building blocks in organic electrode materials, are chosen as model ...

Owing to their high conductivity, crystalline Li7-3xGaxLa3Zr2O12 garnets are promising electrolytes for all-solid-state lithium-ion batteries. Herein, the influence of Ga doping on the phase, lithium-ion distribution, and conductivity of Li7-3xGaxLa3Zr2O12 garnets is investigated, with the determined concentration and mobility of lithium ions shedding light on the origin of the high conductivit...

Lithium metal battery is a promising candidate for high-energy-density energy storage. Unfortunately, the strongly reducing nature of lithium metal has been an outstanding challenge causing poor stability and low coulombic efficiency in lithium batteries. For decades, there are significant research efforts to stabilize lithium metal anode. However, such efforts are greatly impeded by the lack o...

The goal of this work is to understand the properties of mixed-metal intercalation oxides. Using first-principles methods, the effect of doping on the mixing, energetic, and voltage properties as well as the phase diagrams of lithium transition-metal oxides for lithium battery cathode materials was investigated. The effect of doping on the phase separation tendencies of layered transition-metal...

The electronic and adsorption properties of graphene can be changed significantly through substitutional doping with nitrogen and nitrogen decoration of vacancies. Here ab initio density functional theory with a dispersion correction was used to investigate the stability, magnetic and adsorption properties of nine defects in graphene, including both nitrogen substitutional doping and nitrogen d...

Mixed-conducting lithium-ion doped emeraldine polyaniline (PAni)–polyethylene oxide (PEO) blends have been developed to achieve an optimal electronic– ionic conductivity balance in nano-tin composite anodes. Electrochemical evaluation was performed on the anodes with differing electrode preparation procedures, doping methods and PEO contents. Results indicate that both good electronic and ionic...