scholarly journals Electrochemical Potential of the Metal Organic Framework MIL-101(Fe) as Cathode Material in Li-Ion Batteries

2021 ◽  
Vol 6 (2) ◽  
pp. 22
Author(s):  
Fatemeh Keshavarz ◽  
Marius Kadek ◽  
Bernardo Barbiellini ◽  
Arun Bansil
Keyword(s):  
Cathode Material ◽  
Density Functional ◽  
Metal Organic Framework ◽  
Electrochemical Potential ◽  
Li Ion Batteries ◽  
Structural Deformations ◽  
Metal Organic ◽  
Li Ion ◽  
Organic Framework

We discuss the characteristic factors that determine the electrochemical potentials in a metal-organic framework used as cathode for Li-ion batteries via density functional theory-based simulations. Our focus is on MIL-101(Fe) cathode material. Our study gives insight into the role of local atomic environment and structural deformations in generating electrochemical potential.

Enhanced performance in gas adsorption and Li ion batteries by docking Li+ in a crown ether-based metal–organic framework

2016 ◽  
Vol 52 (14) ◽  
pp. 3003-3006 ◽  
Author(s):  
Linyi Bai ◽  
Binbin Tu ◽  
Yi Qi ◽  
Qiang Gao ◽  
Dong Liu ◽  
...  
Keyword(s):  
Crown Ether ◽  
Metal Ions ◽  
Gas Adsorption ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Li Ion Batteries ◽  
Metal Organic ◽  
Li Ion ◽  
Organic Framework

Incorporating supramolecular recognition units, crown ether rings, into metal–organic frameworks enables the docking of metal ions through complexation for enhanced performance.

Bitter gourd-shaped Ni3V2O8 anode developed by a one-pot metal-organic framework-combustion technique for advanced Li-ion batteries

2017 ◽  
Vol 43 (16) ◽  
pp. 13224-13232 ◽  
Author(s):  
Vaiyapuri Soundharrajan ◽  
Balaji Sambandam ◽  
Jinju Song ◽  
Sungjin Kim ◽  
Jeonggeun Jo ◽  
...  
Keyword(s):  
Metal Organic Framework ◽  
Bitter Gourd ◽  
Li Ion Batteries ◽  
One Pot ◽  
Metal Organic ◽  
Li Ion ◽  
Combustion Technique ◽  
Organic Framework

scholarly journals Layered metal–organic framework based on tetracyanonickelate as a cathode material for in situ Li-ion storage

RSC Advances ◽  
2019 ◽  
Vol 9 (37) ◽  
pp. 21363-21370 ◽  
Author(s):  
Kaiqiang Zhang ◽  
Tae Hyung Lee ◽  
Bailey Bubach ◽  
Mehdi Ostadhassan ◽  
Ho Won Jang ◽  
...  
Keyword(s):  
Cathode Material ◽  
Prussian Blue ◽  
Electrode Materials ◽  
Metal Organic Framework ◽  
Ion Storage ◽  
Metal Organic ◽  
Li Ion ◽  
Prussian Blue Analogs ◽  
Organic Framework

Prussian blue analogs (PBAs) with tetracyanide linkers have been studied as electrode materials for Li-ion storage.

scholarly journals Pillared sulfonate-based metal-organic framework as negative electrode for Li-ion batteries

2019 ◽  
Vol 236 ◽  
pp. 73-76 ◽  
Author(s):  
Marine Cognet ◽  
Thibaut Gutel ◽  
Romain Gautier ◽  
Xavier F. Le Goff ◽  
Adel Mesbah ◽  
...  
Keyword(s):  
Metal Organic Framework ◽  
Negative Electrode ◽  
Li Ion Batteries ◽  
Metal Organic ◽  
Li Ion ◽  
Organic Framework

scholarly journals Density-functional theory models of Fe(iv)O reactivity in metal–organic frameworks: self-interaction error, spin delocalisation and the role of hybrid exchange

2020 ◽  
Vol 22 (22) ◽  
pp. 12821-12830
Author(s):  
Fernan Saiz ◽  
Leonardo Bernasconi
Keyword(s):  
Density Functional Theory ◽  
Oxidation Reaction ◽  
Density Functional ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Density Functional Theory Calculations ◽  
Functional Theory ◽  
Metal Organic ◽  
Organic Framework

We study the reactivity of Fe(iv)O moieties supported by a metal–organic framework (MOF-74) in the oxidation reaction of methane to methanol using all-electron, periodic density-functional theory calculations.

A nickel-based metal-organic framework: A novel optimized anode material for Li-ion batteries

2015 ◽  
Vol 161 ◽  
pp. 712-715 ◽  
Author(s):  
Yan Zhang ◽  
Yu-Bin Niu ◽  
Ting Liu ◽  
Yu-Tao Li ◽  
Min-Qiang Wang ◽  
...  
Keyword(s):  
Anode Material ◽  
Metal Organic Framework ◽  
Li Ion Batteries ◽  
Metal Organic ◽  
Li Ion ◽  
Organic Framework

One-pot synthesis of a metal–organic framework as an anode for Li-ion batteries with improved capacity and cycling stability

2014 ◽  
Vol 210 (1) ◽  
pp. 121-124 ◽  
Author(s):  
Lei Gou ◽  
Li-Min Hao ◽  
Yong -Xin Shi ◽  
Shou-Long Ma ◽  
Xiao-Yong Fan ◽  
...  
Keyword(s):  
Metal Organic Framework ◽  
Cycling Stability ◽  
Li Ion Batteries ◽  
One Pot ◽  
One Pot Synthesis ◽  
Metal Organic ◽  
Li Ion ◽  
Organic Framework
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