Ronald L. Kam
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View article: The Interplay Between Electron Localization, Magnetic Order, and Jahn-Teller Distortion that Dictates LiMnO$_2$ Phase Stability
The Interplay Between Electron Localization, Magnetic Order, and Jahn-Teller Distortion that Dictates LiMnO$_2$ Phase Stability Open
The development of Mn-rich cathodes for Li-ion batteries promises to alleviate supply chain bottlenecks in battery manufacturing. Challenges in Mn-rich cathodes arise from Jahn-Teller (JT) distortions of Mn$^{3+}$, Mn migration, and phase …
View article: The nonexistence of a paddlewheel effect in superionic conductors
The nonexistence of a paddlewheel effect in superionic conductors Open
Since the 1980s, the paddlewheel effect has been suggested as a mechanism to boost lithium-ion diffusion in inorganic materials via the rotation of rotor-like anion groups. However, it remains unclear whether the paddlewheel effect, define…
View article: Crystal Structures and Phase Stability of the Li<sub>2</sub>S–P<sub>2</sub>S<sub>5</sub>System from First Principles
Crystal Structures and Phase Stability of the Li<sub>2</sub>S–P<sub>2</sub>S<sub>5</sub>System from First Principles Open
The Li2S-P2S5 pseudo-binary system has been a valuable source of promising superionic conductors, with α-Li3PS4, β-Li3PS4, HT-Li7PS6, and Li7P3S11 having excellent room-temperature Li-ion conductivity >0.1 mS/cm. The metastability of these…
View article: smol - Statistical Mechanics on Lattices
smol - Statistical Mechanics on Lattices Open
What's Changed We are now including wheels for Python 3.12! :rocket: 🛠 Enhancements List basis set, mckernel, step type and bias options by @lbluque in https://github.com/CederGroupHub/smol/pull/421 ### 📖 Documentation Workflow and doc edi…
View article: Crystal Structures and Phase Stability of the Li$_2$S-P$_2$S$_5$ System from First Principles
Crystal Structures and Phase Stability of the Li$_2$S-P$_2$S$_5$ System from First Principles Open
The Li$_2$S-P$_2$S$_5$ pseudo-binary system has been a valuable source of promising superionic conductors, with $α$-Li$_3$PS$_4$, $β$-Li$_3$PS$_4$, HT-Li$_7$PS$_6$, and Li$_7$P$_3$S$_{11}$ having excellent room temperature Li-ion conductiv…
View article: smol: A Python package for cluster expansions andbeyond
smol: A Python package for cluster expansions andbeyond Open
The growing research focus on multi-principal element materials-spanning a variety of applications, such as electrochemical (Lun et al., 2020), structural (George et al., 2019), semiconductor, thermoelectric, magnetic, and superconducting …
View article: Toward a Mechanistic Model of Solid–Electrolyte Interphase Formation and Evolution in Lithium-Ion Batteries
Toward a Mechanistic Model of Solid–Electrolyte Interphase Formation and Evolution in Lithium-Ion Batteries Open
The formation of passivation films by interfacial reactions, though critical for applications ranging from advanced alloys to electrochemical energy storage, is often poorly understood. In this work, we explore the formation of an exemplar…
View article: Towards a Mechanistic Model of Solid-Electrolyte Interphase Formation and Evolution in Lithium-ion Batteries
Towards a Mechanistic Model of Solid-Electrolyte Interphase Formation and Evolution in Lithium-ion Batteries Open
The formation of passivation films by interfacial reactions, though critical for applications ranging from advanced alloys to electrochemical energy storage, is often poorly understood. In this work, we explore the formation of an exemplar…
View article: Towards a Mechanistic Model of Solid-Electrolyte Interphase Formation and Evolution in Lithium-ion Batteries
Towards a Mechanistic Model of Solid-Electrolyte Interphase Formation and Evolution in Lithium-ion Batteries Open
The formation of passivation films by interfacial reactions, though critical for applications ranging from advanced alloys to electrochemical energy storage, is often poorly understood. In this work, we explore the formation of an exemplar…
View article: Towards a Mechanistic Model of Solid-Electrolyte Interphase Formation and Evolution in Lithium-ion Batteries
Towards a Mechanistic Model of Solid-Electrolyte Interphase Formation and Evolution in Lithium-ion Batteries Open
The formation of passivation films by interfacial reactions, though critical for applications ranging from advanced alloys to electrochemical energy storage, is often poorly understood. In this work, we explore the formation of an exemplar…