Decoding Electrochemical Processes of Lithium‐Ion Batteries by Classical Molecular Dynamics Simulations

X Tan, M Chen, J Zhang, S Li, H Zhang… - Advanced Energy …, 2024 - Wiley Online Library
Lithium‐ion batteries (LIBs) have played an essential role in the energy storage industry and
dominated the power sources for consumer electronics and electric vehicles. Understanding …

Experimental and computational optimization of Prussian blue analogues as high-performance cathodes for sodium-ion batteries: a review

G Oh, J Kim, S Kansara, H Kang, HG Jung… - Journal of Energy …, 2024 - Elsevier
In this article, we discuss the electrochemical properties of Prussian Blue (PB) for Na+
storage by combining structural engineering and electrolyte modifications. We integrated …

Hierarchical Nanowire Host Material for High‐Areal‐Capacity All‐Solid‐State S/SeS2 Batteries

H Kim, HN Choi, MJ Kim, S Kansara… - Advanced Functional …, 2024 - Wiley Online Library
All‐solid‐state sulfur batteries (ASBs) suffer from electrical and ionic conduction problems
due to the insulating sulfur. By comparing three host materials with different structural …

Numerical investigation of a highly efficient hole transport layer-free solid-state dye-sensitized solar cell based on N719 Dye

GG Njema, JK Kibet, N Rono, EL Meyer - Journal of Electronic Materials, 2024 - Springer
Over the last few years, considerable efforts have been invested in designing solar cell
modules that are envisaged to revolutionize photovoltaic technology towards clean and …

Insight into the origin of electrochemical potential: Fermi vs. Gibbs free energies

S Safaeipour, MM Kalantarian - Nano-Structures & Nano-Objects, 2024 - Elsevier
This paper proposes that the origin of electrochemical potential can be considered as the
difference between the Fermi energies of the components. It evaluates different aspects of …

Metalloid-do** in SMoSe Janus layers: first-principles study on efficient catalysts for the hydrogen evolution reaction

M Vallinayagam, J Karthikeyan, M Posselt… - Journal of Materials …, 2024 - pubs.rsc.org
B, Si, and Ge dopants are inserted into SMoSe Janus layers (JLs) at Mo, S, and Se as well
as at interstitial sites. Spin-polarized density functional theory calculations are employed to …

Composite shell empowered crystalline-amorphous NiO/NiWO4-rGO core-shell electrocatalyst for efficient water electrocatalysis

DB Malavekar, S Kansara, MA Gaikwad… - … Composites and Hybrid …, 2024 - Springer
Nickel-based materials exhibit excellent electrochemical water splitting activity; however,
their inferior mass transport limits further improvement in catalytic performance. Herein, we …

The redox aspects of lithium-ion batteries

P Peljo, C Villevieille, HH Girault - Energy & Environmental Science, 2025 - pubs.rsc.org
This article aims to present the redox aspects of lithium-ion batteries both from a
thermodynamic and from a conductivity viewpoint. We first recall the basic definitions of the …

NASICON-Type Na3V1.5Cr0.4Fe0.1(PO4)3: High-Voltage and High-Rate Cathode Materials for Sodium-Ion Batteries

Y Kim, G Oh, J Lee, J Baek, G Alfaza… - … Applied Materials & …, 2024 - ACS Publications
Cationic alteration related to a sodium super ion conductor (NASICON)-structured Na3V2
(PO4) 3 (NVP) is an effective strategy for formulating high-energy and stable cathodes for …

Investigation of Metal Tellurides As Cathode Materials for High-Energy Lithium–Tellurium Batteries

M Bhatt, H Park, S Kansara, Y Sonvane… - ACS Applied Materials …, 2025 - ACS Publications
Lithium–tellurium (Li–Te) batteries are gaining attention as a promising next-generation
energy storage system due to their superior electrical conductivity and high volumetric …