Data‐Driven Materials Innovation and Applications
Owing to the rapid developments to improve the accuracy and efficiency of both
experimental and computational investigative methodologies, the massive amounts of data …
experimental and computational investigative methodologies, the massive amounts of data …
Odyssey of multivalent cathode materials: open questions and future challenges
The rapidly expanding field of nonaqueous multivalent intercalation batteries offers a
promising way to overcome safety, cost, and energy density limitations of state-of-the-art Li …
promising way to overcome safety, cost, and energy density limitations of state-of-the-art Li …
Redirecting dynamic surface restructuring of a layered transition metal oxide catalyst for superior water oxidation
Rationally manipulating the in situ formed catalytically active surface of catalysts remains a
tremendous challenge for a highly efficient water electrolysis. Here we present a cationic …
tremendous challenge for a highly efficient water electrolysis. Here we present a cationic …
Trace do** of multiple elements enables stable battery cycling of LiCoO2 at 4.6 V
LiCoO2 is a dominant cathode material for lithium-ion (Li-ion) batteries due to its high
volumetric energy density, which could potentially be further improved by charging to high …
volumetric energy density, which could potentially be further improved by charging to high …
Non-flammable electrolyte enables Li-metal batteries with aggressive cathode chemistries
Rechargeable Li-metal batteries using high-voltage cathodes can deliver the highest
possible energy densities among all electrochemistries. However, the notorious reactivity of …
possible energy densities among all electrochemistries. However, the notorious reactivity of …
In situ grown Fe3O4 particle on stainless steel: A highly efficient electrocatalyst for nitrate reduction to ammonia
NH 3 is an essential feedstock for fertilizer synthesis. Industry-scale NH 3 synthesis mostly
relies on the Haber-Bosch method, however, which suffers from massive CO 2 emission and …
relies on the Haber-Bosch method, however, which suffers from massive CO 2 emission and …
Tailoring planar strain for robust structural stability in high-entropy layered sodium oxide cathode materials
High-entropy oxides have expanded the potential for high-performance Na-ion battery
cathodes due to their vast compositional space and entropy-driven stabilization. However, a …
cathodes due to their vast compositional space and entropy-driven stabilization. However, a …
Layered Cathode Materials for Lithium-Ion Batteries: Review of Computational Studies on LiNi1–x–yCoxMnyO2 and LiNi1–x–yCoxAlyO2
At present the most successful rechargeable battery is the Li-ion battery, due to the small
size, high energy density, and low reduction potential of Li. Computational materials science …
size, high energy density, and low reduction potential of Li. Computational materials science …
Whole‐voltage‐range oxygen redox in P2‐layered cathode materials for sodium‐ion batteries
Oxygen‐redox of layer‐structured metal‐oxide cathodes has drawn great attention as an
effective approach to break through the bottleneck of their capacity limit. However, reversible …
effective approach to break through the bottleneck of their capacity limit. However, reversible …
Density functional theory for battery materials
Q He, B Yu, Z Li, Y Zhao - Energy & Environmental Materials, 2019 - Wiley Online Library
Batteries are the most widely used energy storage devices, and the lithium‐ion battery is the
most heavily commercialized and most widely used battery type in the industry. However …
most heavily commercialized and most widely used battery type in the industry. However …