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Using first principles structure searching with density-functional theory (DFT) we identify a novel $Fm\bar{3}m$ phase of Cu$_2$P and two low-lying metastable structures, an $I\bar{4}3d$--Cu$_3$P phase, and a $Cm$--Cu$_3$P$_{11}$ phase. The…
Lithium iron phosphate (LiFePO$_4$) is the prototypical two-phase battery material, whose complex patterns of lithium ion intercalation provide a testing ground for theories of electrochemical thermodynamics. Using a depth-averaged (a-b…
Inspired by the wisdom of metallurgists in designing new alloys, the Integrated Computational Materials Engineering (ICME) based design strategy is proposed for development of Si based anodes for Li-ion batteries (LIBs). The strategy starts…
As one of the most promising next-generation energy storage device, lithium metal batteries have been extensively investigated. However, the poor safety issue and undesired lithium dendrites growth hinder the development of lithium metal…
Improving lithium-ion batteries (LIBs) safety remains in a challenging task when compared with the tremendous progress made in their performance in recent years. Embedding thermo-responsive polymer switching materials (TRPS) into LIB cells…
The increasing demand for energy storage solutions has spurred intensive research into next-generation battery technologies. Oxygen-ion batteries (OIBs), which leverage mixed ionic-electronic conducting (MIEC) oxides, have emerged as…
As a new type of self-healing material, room-temperature liquid metal (LM) composed of Ga, In and Sn is a promising anode in lithium-ion batteries (LIBs). It is difficult to directly prepare an electrode slurry with pure LM. Here, the LM…
The large volume change of the silicon (Si) during lithiation and delithiation process has long been a problem impeding its application as one of the most promising anode materials for LIBs. In this paper, we proposed a conceptually new…
Lithium fluorinated carbon is one of the most promising chemistries for high-energy-density primary energy storage systems in applications where rechargeability is not required. Though Li/CFx demonstrates high energy density under ambient…
The performance of lithium and sodium ion batteries relies notably on the accessibility to carbon electrodes of controllable porous structure and chemical composition. This work reports a facile synthesis of well-defined porous N-doped…
Next-generation high-efficiency Li-ion batteries require an electrolyte that is both safe and thermally stable. A possible choice for high performance all-solid-state Li-ion batteries is a liquid crystal, which possesses properties…
Effective passivation of lithium metal surfaces, and prevention of battery-shorting lithium dendrite growth, are critical for implementing lithium-metal-anodes for batteries with increased power densities. Nanoscale surface heterogeneities…
The paper provides a comprehensive battery storage modelling approach, which accounts for operation- and degradation-aware characteristics, i.e., variable efficiency, internal resistance growth, and capacity fade. Based on the available…
A thick electrode with high areal capacity has been developed as a strategy for high-energy-density lithium-ion batteries, but thick electrodes have difficulties in manufacturing and limitations in ion transport. Here, we reported a new…
Cycling efficiency and rate capability of porous copper-coated, amorphous silicon thin-film negative electrodes are compared to equivalent silicon thin-film electrodes in lithium-ion batteries. The presence of a copper layer coated on the…
Composite materials achieved by including transition-metal oxides with different structures and morphologies in sulfur are suggested as scalable cathodes for high-energy lithium-sulfur (Li-S) batteries. The composites contain 80 wt.% sulfur…
A new era for energy storage devices, such as rechargeable batteries, has been opened in the last decades. However, commercially available energy storage devices are based mainly on critical elements such as Li, Co, Mn, P, Ni, and graphite…
In recent years, the mixed phosphates based polyanionic electrode materials have attracted great attention in sodium-ion batteries due to their structural stability during cycling and open framework for ion diffusion. Here, we report the…
Na, K and Ca-ion battery electrode materials with appropriate electrochemical properties are desirable candidates for replacing lithium-ion batteries (LIBs) because of their natural richness and low cost. Recently, MoO2 has been reported as…
A new nanofibrous material, consisting of a conductive carbon core and an external layer made of vanadium oxide, has been studied as a cathode for aluminium-ion batteries. The material enables a mixed-ion intercalation mechanism, resulting…