scholarly journals Anodic Activity of Hydrated and Anhydrous Iron (II) Oxalate in Li-Ion Batteries

2022 ◽  
Vol 7 (1) ◽  
pp. 8
Author(s):  
Fatemeh Keshavarz ◽  
Marius Kadek ◽  
Bernardo Barbiellini ◽  
Arun Bansil
Keyword(s):  
First Principles ◽  
Storage Capacity ◽  
Li Ion Batteries ◽  
Structural Water ◽  
Intercalation Reaction ◽  
Ferrous Oxalate ◽  
Naturally Occurring ◽  
Li Ion ◽  
Li Storage ◽  
Lower Voltage

We discuss the applicability of the naturally occurring compound Ferrous Oxalate Dihydrate (FOD) (FeC2O4·2H2O) as an anode material in Li-ion batteries. Using first-principles modeling, we evaluate the electrochemical activity of FOD and demonstrate how its structural water content affects the intercalation reaction and contributes to its performance. We show that both Li0 and Li+ intercalation in FOD yields similar results. Our analysis indicates that fully dehydrated ferrous oxalate is a more promising anodic material with higher electrochemical stability: it carries 20% higher theoretical Li storage capacity and a lower voltage (0.68 V at the PBE/cc-pVDZ level), compared to its hydrated (2.29 V) or partially hydrated (1.43 V) counterparts.

Increment of Li Storage Capacity in B[sub 2]O[sub 3]-Modified Hard Carbon as Anode Material for Li-Ion Batteries

2004 ◽  
Vol 151 (12) ◽  
pp. A2189 ◽  
Author(s):  
Xiaodong Wu ◽  
Zhaoxiang Wang ◽  
Liquan Chen ◽  
Xuejie Huang
Keyword(s):  
Anode Material ◽  
Storage Capacity ◽  
Li Ion Batteries ◽  
Hard Carbon ◽  
Li Ion ◽  
Li Storage

Hierarchical porous Li2FeSiO4/C composite with 2 Li storage capacity and long cycle stability for advanced Li-ion batteries

2013 ◽  
Vol 1 (16) ◽  
pp. 4988 ◽  
Author(s):  
Zhongxue Chen ◽  
Shen Qiu ◽  
Yuliang Cao ◽  
Jiangfeng Qian ◽  
Xinping Ai ◽  
...  
Keyword(s):  
Storage Capacity ◽  
Li Ion Batteries ◽  
Cycle Stability ◽  
Long Cycle ◽  
Hierarchical Porous ◽  
Li Ion ◽  
Li Storage

Oxygen-substituted borophene as a potential anode material for Li/Na-ion batteries: a first principles study

2021 ◽  
Vol 23 (15) ◽  
pp. 9270-9279
Author(s):  
Yao Wu ◽  
Bicheng Zhang ◽  
Jianhua Hou
Keyword(s):  
Anode Material ◽  
First Principles ◽  
Storage Capacity ◽  
Specific Capacity ◽  
Li Ion Batteries ◽  
First Principles Study ◽  
Li Ion ◽  
Theoretical Specific Capacity

After the first layer of Li atoms are adsorbed fully, the system of Li atoms adsorbed by h-B3O still remained stable. And a large theoretical specific capacity (1161 mA h g−1) ensures a good storage capacity of Li-ion batteries.

scholarly journals Computational screening of phosphite derivatives as high-performance additives in high-voltage Li-ion batteries

RSC Advances ◽  
2017 ◽  
Vol 7 (32) ◽  
pp. 20049-20056 ◽  
Author(s):  
Young-Kyu Han ◽  
Jaeik Yoo ◽  
Taeeun Yim
Keyword(s):  
High Voltage ◽  
First Principles ◽  
High Performance ◽  
First Principles Calculations ◽  
Li Ion Batteries ◽  
Computational Screening ◽  
Screening Protocol ◽  
Li Ion ◽  
Performance Additives ◽  
Additive Materials

We presented a computational screening protocol for the efficient development of cathode-electrolyte interphase (CEI)-forming additive materialsviathe first-principles calculations.

Silicon oxycarbide ceramics as anodes for lithium ion batteries: influence of carbon content on lithium storage capacity

RSC Advances ◽  
2016 ◽  
Vol 6 (106) ◽  
pp. 104597-104607 ◽  
Author(s):  
Monika Wilamowska-Zawlocka ◽  
Paweł Puczkarski ◽  
Zofia Grabowska ◽  
Jan Kaspar ◽  
Magdalena Graczyk-Zajac ◽  
...  
Keyword(s):  
Carbon Content ◽  
Lithium Ion Batteries ◽  
Storage Capacity ◽  
Lithium Ion ◽  
Silicon Oxycarbide ◽  
Synthesis And Characterization ◽  
Li Ion Batteries ◽  
Lithium Storage ◽  
Li Ion

We report here on the synthesis and characterization of silicon oxycarbide (SiOC) in view of its application as a potential anode material for Li-ion batteries.

scholarly journals Urchin-like CoO–C micro/nano hierarchical structures as high performance anode materials for Li-ion batteries

RSC Advances ◽  
2017 ◽  
Vol 7 (5) ◽  
pp. 2637-2643 ◽  
Author(s):  
Lili Liu ◽  
Lihui Mou ◽  
Jia Yu ◽  
Shimou Chen
Keyword(s):  
Hierarchical Structure ◽  
Anode Materials ◽  
High Performance ◽  
Hierarchical Structures ◽  
Li Ion Batteries ◽  
Carbon Coated ◽  
Li Ion ◽  
Li Storage

Urchin-like microspheres consisting of radial carbon-coated cobalt monoxide nanowires are designed, to fabricate a micro/nano hierarchical structure for efficient Li-storage.

Comparative Studies on VS2 Bilayer and VS2/Graphene Heterostructure as the Anodes of Li Ion Battery

2021 ◽  
Vol 894 ◽  
pp. 61-66
Author(s):  
Rui Zhi Dong
Keyword(s):  
Binding Energy ◽  
Diffusion Barrier ◽  
First Principles ◽  
Electronic Devices ◽  
Lithium Ion ◽  
First Principles Calculations ◽  
Li Ion Batteries ◽  
Capacity Loss ◽  
Li Ion ◽  
And Diffusion

Due to the development of various mobile electronic devices, such as electric vehicles, rechargeable ion batteries are becoming more and more important. However, the current commercial lithium-ion batteries have obvious defects, including poor safety from Li dendrite and flammable electrolyte, quick capacity loss and low charging and discharging rate. It is very important to find a better two-dimensional material as the anode of the battery to recover the disadvantages. In this paper, first principles calculations are used to explore the performances of VS2 bilayer and VS2 / graphene heterostructure as the anodes of Li ion batteries. Based on the calculation of the valences, binding energy, intercalation voltage, charge transfer and diffusion barrier of Li, it is found that the latter can be used as a better anode material from the perspective of insertion voltage and binding energy. At the same time, the former one is better in terms of diffusion barrier. Our study provides a comprehensive understanding on VS2 based 2D anodes.

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