Atomic-level structure determination of amorphous molecular solids by NMR

M Cordova, P Moutzouri, SO Nilsson Lill… - Nature …, 2023 - nature.com
Abstract Structure determination of amorphous materials remains challenging, owing to the
disorder inherent to these materials. Nuclear magnetic resonance (NMR) powder …

Towards reversible high-voltage multi-electron reactions in alkali-ion batteries using vanadium phosphate positive electrode materials

E Boivin, JN Chotard, C Masquelier, L Croguennec - Molecules, 2021 - mdpi.com
Vanadium phosphate positive electrode materials attract great interest in the field of Alkali-
ion (Li, Na and K-ion) batteries due to their ability to store several electrons per transition …

High Rate Performance for Carbon‐Coated Na3V2(PO4)2F3 in Na‐Ion Batteries

T Broux, F Fauth, N Hall, Y Chatillon… - Small …, 2019 - Wiley Online Library
The electrochemical and structural properties of a series of three different Na3V2 (PO4) 2F3
samples (with or without carbon coatings of different natures), obtained via different …

Controlling the Cathodic Potential of KVPO4F through Oxygen Substitution

R Wernert, LHB Nguyen, E Petit… - Chemistry of …, 2022 - ACS Publications
Exploring and tailoring new high energy density positive electrode materials is still a
challenge for alkali-ion batteries. In this work, we synthesized the mixed anion phases …

Review on synthesis, characterization, and electrochemical properties of fluorinated nickel‐cobalt‐manganese cathode active materials for lithium‐ion batteries

U Breddemann, I Krossing - ChemElectroChem, 2020 - Wiley Online Library
In this Review, we report and compare non‐fluorinated with fluorinated cathode active
materials (CAMs) based on a nickel‐cobalt‐manganese (NCM) composition such as HE …

Self-Discharge Mechanism of High-Voltage KVPO4F for K-Ion Batteries

R Wernert, LHB Nguyen, A Iadecola… - ACS Applied Energy …, 2022 - ACS Publications
Current performances of Li-, Na-, or K-ion batteries are mainly limited by the specific
capacity of the positive electrode. Therefore, it is important to reach the highest capacity …

What can text mining tell us about lithium‐ion battery researchers' habits?

H El‐Bousiydy, T Lombardo, EN Primo… - Batteries & …, 2021 - Wiley Online Library
Artificial Intelligence (AI) has the promise of providing a paradigm shift in battery R&D by
significantly accelerating the discovery and optimization of materials, interfaces …

In situ and ex situ NMR for battery research

JZ Hu, NR Jaegers, MY Hu… - Journal of Physics …, 2018 - iopscience.iop.org
A rechargeable battery stores readily convertible chemical energy to operate a variety of
devices such as mobile phones, laptop computers, electric automobiles, etc. A battery …

Synergistic Overview and Perspectives of Two-Dimensional Heterostructures for Cathodes and Separators in Flexible Li–S Batteries

MS Kiai, S Ponnada, M Mansoor, N Aslfattahi… - Energy & …, 2023 - ACS Publications
Because of their high energy densities and specific capacities, lithium–sulfur (Li–S) batteries
have recently received an extensive amount of research. The best way to boost battery …

Revving up 13C NMR shielding predictions across chemical space: benchmarks for atoms-in-molecules kernel machine learning with new data for 134 kilo molecules

A Gupta, S Chakraborty… - … Learning: Science and …, 2021 - iopscience.iop.org
The requirement for accelerated and quantitatively accurate screening of nuclear magnetic
resonance spectra across the small molecules chemical compound space is two-fold:(1) a …