Enhanced Li+ ion adsorption on pristine and defected graphene via organic radical interaction – A DFT study

2021 ◽  
Vol 611 ◽  
pp. 412700
Author(s):  
Sangavi Shanmugam ◽  
Santhanamoorthi Nachimuthu ◽  
Vijayakumar Subramaniam
Keyword(s):  
Dft Study ◽  
Organic Radical ◽  
Ion Adsorption ◽  
Li Ion ◽  
Radical Interaction ◽  
Defected Graphene

The effect of edge termination on Li+ ion adsorption of pristine and defected graphene sheets

2020 ◽  
Vol 55 (14) ◽  
pp. 5920-5937
Author(s):  
Sangavi Shanmugam ◽  
Santhanamoorthi Nachimuthu ◽  
Vijayakumar Subramaniam
Keyword(s):  
Graphene Sheets ◽  
Ion Adsorption ◽  
Edge Termination ◽  
Li Ion ◽  
Defected Graphene

Li ion adsorption behaviors of Ni-loaded Li–Mn oxide composites

RSC Advances ◽  
2014 ◽  
Vol 4 (42) ◽  
pp. 21899 ◽  
Author(s):  
Seul-Yi Lee ◽  
Soo-Jin Park
Keyword(s):  
Ion Adsorption ◽  
Mn Oxide ◽  
Adsorption Behaviors ◽  
Li Ion ◽  
Oxide Composites

A DFT study of the Pb ion adsorption on smithsonite (101) surface in aqueous system

2021 ◽  
pp. 117560
Author(s):  
Yuanjia Luo ◽  
Leming Ou ◽  
Jianhua Chen ◽  
Guofan Zhang ◽  
Yuqin Xia ◽  
...  
Keyword(s):  
Aqueous System ◽  
Dft Study ◽  
Ion Adsorption

Adsorption of H2 molecules on B/N-doped defected graphene sheets—a DFT study

2020 ◽  
Vol 31 (6) ◽  
pp. 2413-2434
Author(s):  
Rajamani Akilan ◽  
Saravanan Vinnarasi ◽  
Subramani Mohanapriya ◽  
Ramasamy Shankar
Keyword(s):  
Dft Study ◽  
Graphene Sheets ◽  
Defected Graphene

DFT study of formaldehyde adsorption on vacancy defected graphene doped with B, N, and S

2014 ◽  
Vol 440 ◽  
pp. 80-86 ◽  
Author(s):  
Qingxiao Zhou ◽  
Lei Yuan ◽  
Xi Yang ◽  
Zhibing Fu ◽  
Yongjian Tang ◽  
...  
Keyword(s):  
Dft Study ◽  
Formaldehyde Adsorption ◽  
Defected Graphene

scholarly journals Preparation and Investigation of a Novel Organic Polymer Consisting of 2,2,6,6-Tetramethylpiperidine-N-oxy as a Cathode Active Material in Li-Ion Batteries

2013 ◽  
Vol 2013 ◽  
pp. 1-6 ◽  
Author(s):  
Emre Biçer ◽  
Atilla Öktemer
Keyword(s):  
Discharge Capacity ◽  
High Power ◽  
Active Material ◽  
Organic Polymer ◽  
Organic Radical ◽  
Li Ion Batteries ◽  
Cycle Stability ◽  
Coin Cell ◽  
Li Ion

In the present study, a novel organic polymer consisting of 2,2,6,6-tetramethylpiperidine-N-oxyl group as an electroactive center is employed by synthesizing it from a commercially ready polymer. An investigation on electrochemical and battery properties of this material as a cathode active material in different electrolyte salts was conducted. A coin cell shows a discharge capacity of 40 mAh g−1at 1 Cwhich is 76% of its theoretical capacity. It is observed that there is no significant decrease in capacity value even at 2 Cand 5 Cwhich indicates that it is applicable for the high-power applications. Besides, a good cycle stability is obtained with the organic radical battery.

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