Please use this identifier to cite or link to this item: https://doi.org/10.1002/aenm.201701572
Title: Charge and Discharge Processes and Sodium Storage in Disodium Pyridine-2,5-Dicarboxylate Anode-Insights from Experiments and Theory
Authors: Padhy, Harihara 
Chen, Yingqian 
Luder, Johann 
Gajella, Satyanarayana Reddy
Manzhos, Sergei 
Balaya, Palani 
Keywords: Science & Technology
Physical Sciences
Technology
Chemistry, Physical
Energy & Fuels
Materials Science, Multidisciplinary
Physics, Applied
Physics, Condensed Matter
Chemistry
Materials Science
Physics
carboxylate based materials
computational study
energy storage
organic anode
sodium-ion batteries
ORGANIC ELECTRODE MATERIALS
INITIO MOLECULAR-DYNAMICS
TOTAL-ENERGY CALCULATIONS
HIGH-PERFORMANCE ANODE
LI-ION
RATE CAPABILITY
LITHIUM
TEREPHTHALATE
NA
INSERTION
Issue Date: 5-Mar-2018
Publisher: WILEY-V C H VERLAG GMBH
Citation: Padhy, Harihara, Chen, Yingqian, Luder, Johann, Gajella, Satyanarayana Reddy, Manzhos, Sergei, Balaya, Palani (2018-03-05). Charge and Discharge Processes and Sodium Storage in Disodium Pyridine-2,5-Dicarboxylate Anode-Insights from Experiments and Theory. ADVANCED ENERGY MATERIALS 8 (7). ScholarBank@NUS Repository. https://doi.org/10.1002/aenm.201701572
Abstract: A combined experimental and computational study of disodium pyridine-2,5-dicarboxylate (Na2PDC) is presented exploring the possibility of using it as a potential anode for organic sodium-ion batteries. This electrode material can reversibly insert/release two Na cations per formula unit, resulting in high reversible capacity of 270 mA h g−1 (236 mA h g−1 after accounting for the contribution from Super P carbon) with excellent cyclability 225 mA h g−1, with retention of 83% capacity after 100 cycles, and good rate performance with reversible capacity of 138 mA h g−1 at a 5 C rate. The performance of disodium pyridine dicarboxylate is therefore found to be superior to that of the related and well investigated disodium terephthalate. The material shows two voltage plateaus at about 0.6 V up to Na2+1PDC and then 0.4 V up to full sodiation, Na2+2PDC. The first plateau is attributed to the coordination of inserted Na to nitrogen atoms with bond formation, i.e., a different mechanism from the terephthalate analog. The subsequent plateau is due to coordination to the carboxylic groups.
Source Title: ADVANCED ENERGY MATERIALS
URI: https://scholarbank.nus.edu.sg/handle/10635/194162
ISSN: 16146832
16146840
DOI: 10.1002/aenm.201701572
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