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 …

A comprehensive quantitative DFT procedure to evaluate rate-capability and electron conduction of intercalation electrode materials: Assessment of novel Li [Mi] 1/3 …

H Yousefi-Mashhour, MM Kalantarian… - Physica B: Condensed …, 2024 - Elsevier
This paper uses comprehensive approach to propose quantitative evaluations of the
electrode materials' electronic rate-capability calculated by density functional theory …

[HTML][HTML] Origin of electrochemical voltage range and voltage profile of insertion electrodes

E Shahpouri, MM Kalantarian - Scientific Reports, 2024 - nature.com
This study evaluates electrochemical voltage-range and voltage-profile regarding electrodes
of insertion (intercalation) batteries. The phrase “voltage-range” expresses the difference …

An investigation to optimize charge-discharge properties of Na3V2O2 (PO4) 2F

Z Hashemabadi, S Safaeipour… - Nano-Structures & Nano …, 2024 - Elsevier
In the last decade, research in the field of Na-ion (SIBs) has greatly increased, due to
sodium element abundance and its low expenses. Na 3 V 2 O 2 (Po 4) 2 F (called NVOPF) …