Validating the Electronic Structure of Vanadium Phosphate Cathode Materials

2021 ◽  
Vol 13 (38) ◽  
pp. 45505-45520
Author(s):  
Tristram Jenkins ◽  
Jose A. Alarco ◽  
Bruce Cowie ◽  
Ian D. R. Mackinnon
Keyword(s):  
Electronic Structure ◽  
Cathode Materials ◽  
Vanadium Phosphate

Theory, electronic structure and physical chemistry of materials cathodes for microwave devices

2020 ◽  
Author(s):  
Vladimir Kapustin ◽  
Illarion Li
Keyword(s):  
Physical Chemistry ◽  
Electronic Structure ◽  
Kinetic Theory ◽  
Cathode Materials ◽  
Analytical Methods ◽  
Electronic Materials ◽  
Electronic Devices ◽  
Cold Start ◽  
Emission Properties ◽  
Oxide Phases

In the monograph the kinetic theory of cathode materials based on metal and oxide phases, analytical methods of research of the cathodes, methods of study of their emission properties. Details the authors discuss the theory and physico-chemistry of oxide-Nickel, metalloplastic, and metal alloyed oxide-yttrium cathodes, including a cathode for magnetrons with cold start. Designed for scientific and engineering-technical workers, specializing in electronic materials and electronic devices.

Synthesis and electrochemical properties of Zn-doped, carbon coated lithium vanadium phosphate cathode materials for lithium-ion batteries

2014 ◽  
Vol 269 ◽  
pp. 15-23 ◽  
Author(s):  
Yuexia Yang ◽  
Wenwen Xu ◽  
Ruisong Guo ◽  
Lan Liu ◽  
Shanshan Wang ◽  
...  
Keyword(s):  
Electrochemical Properties ◽  
Lithium Ion Batteries ◽  
Cathode Materials ◽  
Lithium Ion ◽  
Lithium Vanadium Phosphate ◽  
Vanadium Phosphate ◽  
Carbon Coated

Ascorbic Acid-Assisted Synthesis of Mesoporous Sodium Vanadium Phosphate Nanoparticles with Highly sp2 -Coordinated Carbon Coatings as Efficient Cathode Materials for Rechargeable Sodium-Ion Batteries

2016 ◽  
Vol 22 (30) ◽  
pp. 10620-10626 ◽  
Author(s):  
Tai-Feng Hung ◽  
Wei-Jen Cheng ◽  
Wen-Sheng Chang ◽  
Chang-Chung Yang ◽  
Chin-Chang Shen ◽  
...  
Keyword(s):  
Ascorbic Acid ◽  
Cathode Materials ◽  
Sodium Ion ◽  
Sodium Ion Batteries ◽  
Vanadium Phosphate ◽  
Carbon Coatings

A general low-temperature synthesis route to polyanionic vanadium phosphate fluoride cathode materials: AVPO4F (A = Li, Na, K) and Na3V2(PO4)2F3

2019 ◽  
Vol 3 (10) ◽  
pp. 2164-2174 ◽  
Author(s):  
Nicolas Goubard-Bretesché ◽  
Erhard Kemnitz ◽  
Nicola Pinna
Keyword(s):  
Low Temperature ◽  
Cathode Materials ◽  
Vanadium Phosphate ◽  
Low Temperature Synthesis ◽  
Temperature Synthesis ◽  
Wet Chemistry ◽  
Synthesis Route

A versatile wet chemistry route is reported for the synthesis of highly pure (Li, Na, K)VPO4F and Na3V2(PO4)2F3 cathode materials.

A review for the synthesis methods of lithium vanadium phosphate cathode materials

2017 ◽  
Vol 28 (24) ◽  
pp. 18269-18295 ◽  
Author(s):  
Yaoyao Wang ◽  
Xudong Zhang ◽  
Wen He ◽  
Chuanliang Wei ◽  
Qiaohuan Cheng
Keyword(s):  
Cathode Materials ◽  
Lithium Vanadium Phosphate ◽  
Synthesis Methods ◽  
Vanadium Phosphate

Uniform and continuous carbon coated sodium vanadium phosphate cathode materials for sodium-ion battery

2014 ◽  
Vol 272 ◽  
pp. 880-885 ◽  
Author(s):  
Lulu Si ◽  
Zhengqiu Yuan ◽  
Lei Hu ◽  
Yongchun Zhu ◽  
Yitai Qian
Keyword(s):  
Cathode Materials ◽  
Sodium Ion ◽  
Sodium Ion Battery ◽  
Vanadium Phosphate ◽  
Carbon Coated

Mechanical properties, electronic structure and alkali-ion diffusion of Eldfellite-type AFe(SO4)2 (A = Li, Na, K) as potential cathode materials comparing with LiFePO4

2017 ◽  
Vol 02 (01) ◽  
pp. 1750002 ◽  
Author(s):  
Xiao Yu Chong ◽  
Yehua Jiang ◽  
Jing Feng
Keyword(s):  
Electronic Structure ◽  
Cathode Materials ◽  
Ab Initio Molecular Dynamics ◽  
Ion Diffusion ◽  
The Mean ◽  
Dynamics Simulations ◽  
Relationship Of ◽  
And Diffusion ◽  
Microscopic Origin ◽  
Alkali Ion

To elucidate the structure-performance relationship of the new potential cathode materials AFe(SO4)2 ([Formula: see text], Na, K) compared with LiFePO4, first-principles calculations are performed to investigate the structure, mechanical stabilities and electronic properties of them. The calculated results show that AFe(SO[Formula: see text] ([Formula: see text], Na, K) compounds are mechanically stable and exhibit strong anisotropy. LiFe(SO[Formula: see text], NaFe(SO[Formula: see text] and KFe(SO[Formula: see text] are more brittle and have higher elastic modulus than LiFePO4, which is attributed to the strong chemical bonding of them. Electronic structure are predicted by HSE06 functional and the band gaps are 5.006, 4.996, 5.146 and 3.711[Formula: see text]eV for LiFe(SO[Formula: see text], NaFe(SO[Formula: see text], KFe(SO[Formula: see text] and LiFePO4, respectively. Full ab initio molecular dynamics simulations are performed to calculate the mean square displacements and diffusion coefficients of the alkali-ion. NaFe(SO[Formula: see text] has large diffusion coefficient as [Formula: see text][Formula: see text]m2/s at 1273[Formula: see text]K, as well as larger activation energy as 0.167[Formula: see text]eV. All the results contribute to understand the microscopic origin of the different behaviors of intercalation cathode used in rechargeable battery.

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