Results 61 to 70 of about 210 (153)

Geometry‐Based Neural‐Network Prediction of Electron Localization Function Topology in Dense Hydrogen

open access: yesChemistry – A European Journal, EarlyView.
We present a machine‐learning framework that predicts the electron localization function (ELF) of dense hydrogen directly from atomic geometry, bypassing explicit electronic‐structure calculations. Trained on ab initio data for fluid hydrogen across multiple pressures, the model achieves high accuracy and reveals pressure‐dependent nonlocal ...
Xiaoyu Wang   +5 more
wiley   +1 more source

Compact Manifolds With Unbounded Nilpotent Fundamental Groups and Positive Ricci Curvature

open access: yesCommunications on Pure and Applied Mathematics, EarlyView.
ABSTRACT It follows from the work of Kapovitch and Wilking that a closed manifold with nonnegative Ricci curvature has a uniformly almost nilpotent fundamental group. Leftover questions and conjectures, have asked if in this context the fundamental group is actually uniformly almost abelian. The main goal of this work is to construct examples (Mk9,gk)$(
Elia Bruè, Aaron Naber, Daniele Semola
wiley   +1 more source

Unraveling Synergistic Regulation Mechanism in Nitrogen/Sulfur Co‐Doped Biomass‐Derived Hard Carbon Toward Durable Sodium‐Ion Battery Anodes

open access: yesENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Nitrogen/sulfur co‐doping optimizes the electron and spatial structure of biomass‐derived hard carbon, and the anode demonstrates superior long‐term cycling stability over 2000 cycles, validating an improved “adsorption‐intercalation‐pore filling” mechanism.
Qian Long   +8 more
wiley   +1 more source

Lignocellulosic Triboelectric Materials for Energy Harvesting and Emerging Applications: A Review on Lignin‐Molecular Engineering toward Improved Performance

open access: yesENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Contrasting sustainable biomass with depleting petroleum resources, this review charts the evolutionary timeline of lignin‐based TENGs. We systematically evaluate their fundamental mechanisms, enhancement strategies, and applications in green self‐powered electronics.
Yuxin Yang   +9 more
wiley   +1 more source

Generative Models in Inorganic Crystals Discovery and Inverse Design

open access: yesENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Generative inverse‐design samples from the vast inorganic crystal design space by starting from target properties such as band gap, stability, and ion transport. This Review examines the representations, generative models, and validation workflows needed to translate candidate structures into stable, potentially synthesizable materials for applications
Tao Li   +5 more
wiley   +1 more source

Hyperbolic band theory. [PDF]

open access: yesSci Adv, 2021
Maciejko J, Rayan S.
europepmc   +1 more source

On the Structural Evolution Mechanism of Lignin‐Derived Hard Carbon for Refining Sodium‐Ion Storage

open access: yesElectron, EarlyView.
The lignin‐derived hard carbons with different microstructures were prepared under different carbonization temperature (600°C–1600°C) and carbonization time (0–6 h). The correlation between the local structure of all hard carbons and sodium‐ion storage performance was statistically analyzed. The optimized hard carbon anode has high‐rate performance and
Lei Zhong   +6 more
wiley   +1 more source

Home - About - Disclaimer - Privacy