A Family of High-Performance Cathode Materials for Na-ion Batteries, Na3(VO1−xPO4)2F1+2x(0 ≤x≤ 1): Combined First-Principles and Experimental Study

2014 ◽  
Vol 24 (29) ◽  
pp. 4603-4614 ◽  
Author(s):  
Young-Uk Park ◽  
Dong-Hwa Seo ◽  
Hyungsub Kim ◽  
Jongsoon Kim ◽  
Seongsu Lee ◽  
...  
Keyword(s):  
Experimental Study ◽  
Cathode Materials ◽  
First Principles ◽  
High Performance

Exploring Na_5M(PO_4)_2 F_2 (M=Cr,V) Frameworks as Superionic Cathode Materials for Sodium Ion Batteries Through A First Principles Approach

2020 ◽  
Author(s):  
Madhulika Mazumder ◽  
Swapan K. Pati
Keyword(s):  
Cathode Materials ◽  
First Principles ◽  
Theoretical Basis ◽  
High Performance ◽  
Storage Systems ◽  
Sodium Ion ◽  
Ab Initio Molecular Dynamics ◽  
Sodium Ion Batteries ◽  
Ion Migration ◽  
Dynamics Simulations

The rising needs to develop high-performance energy storage systems fuelled us to rationally design a system of frameworks Na5M(PO4)2F2 (M=Cr, v), which can find use as Superionic cathode materials for Sodium Ion Batteries.<div>The findings of the work provide a theoretical basis with respect to their thermodynamics as well as Na ion migration kinetics. In addition to DFT studies, we have also performed Ab-Initio Molecular Dynamics simulations to obtain a more realistic understanding of the systems at finite temperatures. </div><div>We believe that this work is novel and has contemporary relevance.</div>

Exploring Na_5M(PO_4)_2 F_2 (M=Cr,V) Frameworks as Superionic Cathode Materials for Sodium Ion Batteries Through A First Principles Approach

2020 ◽  
Author(s):  
Madhulika Mazumder ◽  
Swapan K. Pati
Keyword(s):  
Cathode Materials ◽  
First Principles ◽  
Theoretical Basis ◽  
High Performance ◽  
Storage Systems ◽  
Sodium Ion ◽  
Ab Initio Molecular Dynamics ◽  
Sodium Ion Batteries ◽  
Ion Migration ◽  
Dynamics Simulations

The rising needs to develop high-performance energy storage systems fuelled us to rationally design a system of frameworks Na5M(PO4)2F2 (M=Cr, v), which can find use as Superionic cathode materials for Sodium Ion Batteries.<div>The findings of the work provide a theoretical basis with respect to their thermodynamics as well as Na ion migration kinetics. In addition to DFT studies, we have also performed Ab-Initio Molecular Dynamics simulations to obtain a more realistic understanding of the systems at finite temperatures. </div><div>We believe that this work is novel and has contemporary relevance.</div>

scholarly journals Construction of E-pH diagram and experimental study on wet synthesis of FePO4 as the precursor of cathode materials

2022 ◽  
Vol 355 ◽  
pp. 01013
Author(s):  
Ping Xue ◽  
Qingwei Qin ◽  
Guangqiang Li
Keyword(s):  
Experimental Study ◽  
Cathode Materials ◽  
Theoretical Basis ◽  
High Performance ◽  
Ph Value ◽  
Thermodynamic Theory ◽  
Impurity Phase ◽  
Precipitation Method ◽  
Wet Synthesis ◽  
Co Precipitation

The preparation of FePO4 as a precursor by co-precipitation method is widely used, Due to the lack of the guidance of thermodynamic theory, The prepared FePO4 often contains impurity phase, which leads to unsatisfactory performance of LiFeO4. The E-pH diagram of Fe-P-H2O system at the temperature of 25℃ were drawn through the basic E-pH principle with a number of thermodynamic data. According to the E-pH Diagram, the pH value is approximately 2.5, and the FePO4 with less impurity can be prepared by adding proper oxidant. Base on the above mentioned condition, a simple verification experiment was carried out. The results showed that the prepared iron FePO4 had fewer impurities, which provided a theoretical basis for preparing high-performance LiFeO4.

Sulfur vacancies in Co9S8-x/N-doped graphene enhancing electrochemical kinetics to high-performance lithium sulfur batteries

2021 ◽  
Author(s):  
Haojie Li ◽  
Yihua Song ◽  
Kai Xi ◽  
Wei Wang ◽  
Sheng Liu ◽  
...  
Keyword(s):  
Cathode Materials ◽  
High Performance ◽  
Catalytic Conversion ◽  
High Energy ◽  
Electrochemical Kinetics ◽  
Lithium Sulfur Batteries ◽  
Doped Graphene ◽  
Sulfur Battery ◽  
Areal Capacity ◽  
Lithium Sulfur

A sufficient areal capacity is necessary for achieving high-energy lithium sulfur battery, which requires high enough sulfur loading in cathode materials. Therefore, kinetically fast catalytic conversion of polysulfide intermediates is...

Revealing the role of dopants in mitigating degradation phenomena in sodium-ion layered cathodes

2021 ◽  
Vol 23 (3) ◽  
pp. 2038-2045
Author(s):  
Kyoungmin Min ◽  
Young-Han Shin
Keyword(s):  
Cathode Materials ◽  
High Performance ◽  
High Stability ◽  
Sodium Ion ◽  
Sodium Ion Batteries ◽  
Layered Cathode Materials ◽  
Layered Cathodes

Prevention of the degradation of sodium-based layered cathode materials is the key to developing high-performance and high-stability sodium-ion batteries.

MnO2@V2O5 microspheres as cathode materials for high performance aqueous rechargeable Zn-Ion battery

2021 ◽  
pp. 115253
Author(s):  
Hongjing Shang ◽  
Zining Zhang ◽  
Chang Liu ◽  
Xiaole Zhang ◽  
Song Li ◽  
...  
Keyword(s):  
Cathode Materials ◽  
High Performance

scholarly journals Edge-Propagation Discharge Mechanism in CFx Batteries—A First-Principles and Experimental Study

2021 ◽  
Author(s):  
Kevin Leung ◽  
Noah B. Schorr ◽  
Matthew Mayer ◽  
Timothy N. Lambert ◽  
Y. Shirley Meng ◽  
...  
Keyword(s):  
Experimental Study ◽  
First Principles ◽  
Discharge Mechanism
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