Accurate models of thermal runaway in lithium-ion batteries require quantitative knowledge
of heat release during thermochemical processes. A capability to predict at least some …

Li‐and Mn‐rich layered oxides (LMRs) have emerged as practically feasible cathode
materials for high‐energy‐density Li‐ion batteries due to their extra anionic redox behavior …

Phase diagrams provide fundamental knowledge about design map of new electrode
materials for Li-ion batteries. The CALPHAD (CALculation of PHAse Diagrams) approach is …

Transition-metal (TM) layered oxides have been attracting enormous interests in recent
decades because of their excellent functional properties as positive electrode materials in …

We report a detailed first-principles study of doping in Li 2 MnO 3, in both the dilute doping
limit and heavy doping, using hybrid density-functional calculations. We find that Al, Fe, Mo …

In this study, the structural, electronic, elastic, mechanical, and optical properties of a new
Zintl phase K 2 AgAs ternary semiconductor compound have been investigated by the first …

Understanding the thermodynamic stability of materials plays an essential role in their
applications. The high-temperature oxide melt solution calorimetry is a reliable method …

Layer-structured mixed transition metal oxides with the formula LiNi x Mn x Co1–2 x O2 (0≤
x≤ 0.5) are considered as important cathode materials for lithium-ion batteries. In an effort to …

Lithium–manganese oxide based spinel is attractive as cathode materials in lithium ion
batteries. A wide range of spinel solid solution can be directly sintered and result in different …

The challenge of obtaining sufficient raw materials is a major concern when it comes to
extracting lithium from spent lithium-ion batteries. One way to address this is through …