Applying Classical, Ab Initio, and Machine-Learning Molecular Dynamics Simulations to the Liquid Electrolyte for Rechargeable Batteries

N Yao, X Chen, ZH Fu, Q Zhang - Chemical Reviews, 2022 - ACS Publications
Rechargeable batteries have become indispensable implements in our daily life and are
considered a promising technology to construct sustainable energy systems in the future …

Current status and challenges of calcium metal batteries

H Song, C Wang - Advanced Energy and Sustainability …, 2022 - Wiley Online Library
Ca‐metal batteries, one of the promising advanced energy storage devices, have received
significant development in the last few years. However, challenges still exist in efficient and …

In Situ/Operando (Soft) X‐ray Spectroscopy Study of Beyond Lithium‐ion Batteries

F Yang, X Feng, YS Liu, LC Kao… - Energy & …, 2021 - Wiley Online Library
The lightweight, rechargeable lithium‐ion battery is one of the dominant energy storage
devices globally in portable electronics due to its high energy density, no memory effect …

[HTML][HTML] MoS2 for beyond lithium-ion batteries

F Yang, X Feng, PA Glans, J Guo - APL Materials, 2021 - pubs.aip.org
As a typical transition-metal chalcogenide material, molybdenum disulfide (MoS 2) has
received tremendous attention because of its unique layered structure and versatile …

The rise of X-ray spectroscopies for unveiling the functional mechanisms in batteries

M Fehse, A Iadecola, L Simonelli, A Longo… - Physical Chemistry …, 2021 - pubs.rsc.org
Synchrotron-based techniques have been key tools in the discovery, understanding, and
development of battery materials. In this review, some of the most suitable X-ray …

Searching ternary oxides and chalcogenides as positive electrodes for calcium batteries

W Lu, J Wang, G Sai Gautam, P Canepa - Chemistry of Materials, 2021 - ACS Publications
The identification of alternatives to the lithium-ion battery architecture remains a crucial
priority in the diversification of energy storage technologies. Accompanied by the low …

Unsupervised learning of representative local atomic arrangements in molecular dynamics data

F Roncoroni, A Sanz-Matias… - Physical Chemistry …, 2023 - pubs.rsc.org
Molecular dynamics (MD) simulations present a data-mining challenge, given that they can
generate a considerable amount of data but often rely on limited or biased human …

The effect of relative humidity on CaCl 2 nanoparticles studied by soft X-ray absorption spectroscopy

AR Abid, M Mailhiot, N Boudjemia, E Pelimanni… - RSC …, 2021 - pubs.rsc.org
Ca-and Cl-containing nanoparticles are common in atmosphere, originating for example
from desert dust and sea water. The properties and effects on atmospheric processes of …

Initiation of Medial Calcification: Revisiting Calcium Ion Binding to Elastin

K Lau, S Sharpe, M Cerruti - The Journal of Physical Chemistry B, 2024 - ACS Publications
Pathological calcification of elastin, a key connective tissue protein in the medial layers of
blood vessels, starts with the binding of calcium ions. This Mini-Review focuses on …

Synthesis Attempt and Structural Studies of Novel A2CeWO6 Double Perovskites (A2+ = Ba, Ca) in and outside of Ambient Conditions

D Wlodarczyk, M Amilusik, KM Kosyl, M Chrunik… - ACS …, 2022 - ACS Publications
This comprehensive work showcases two novel, rock-salt-type minerals in the form of
amphoteric cerium–tungstate double perovskite and ilmenite powders created via a high …