High Stability and Long Cycle Life of Rechargeable Sodium-Ion Battery Using Manganese Oxide Cathode: A Combined Density Functional Theory (DFT) and Experimental Study

Bidhan Pandit; Sachin R. Rondiya; Nelson Y. Dzade; Shoyebmohamad F. Shaikh; Nitish Kumar; Emad S. Goda; Abdullah A. Al-Kahtani; Rajaram S. Mane; Sanjay Mathur; Rahul R. Salunkhe

doi:10.1021/acsami.0c21081

High Stability and Long Cycle Life of Rechargeable Sodium-Ion Battery Using Manganese Oxide Cathode: A Combined Density Functional Theory (DFT) and Experimental Study

ACS Applied Materials & Interfaces ◽

10.1021/acsami.0c21081 ◽

2021 ◽

Vol 13 (9) ◽

pp. 11433-11441 ◽

Cited By ~ 3

Author(s):

Bidhan Pandit ◽

Sachin R. Rondiya ◽

Nelson Y. Dzade ◽

Shoyebmohamad F. Shaikh ◽

Nitish Kumar ◽

...

Keyword(s):

Density Functional Theory ◽

Experimental Study ◽

Manganese Oxide ◽

Density Functional ◽

High Stability ◽

Sodium Ion ◽

Sodium Ion Battery ◽

Functional Theory ◽

Long Cycle Life ◽

Oxide Cathode

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Two-dimensional MTe2 (M = Co, Fe, Mn, Sc, Ti) transition metal tellurides as sodium ion battery anode materials: Density functional theory calculations

Physics Letters A ◽

10.1016/j.physleta.2018.06.009 ◽

2018 ◽

Vol 382 (38) ◽

pp. 2781-2786 ◽

Cited By ~ 11

Author(s):

Yi-Xuang Li ◽

Darwin Barayang Putungan ◽

Shi-Hsin Lin

Keyword(s):

Density Functional Theory ◽

Transition Metal ◽

Anode Materials ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Sodium Ion ◽

Sodium Ion Battery ◽

Two Dimensional ◽

Functional Theory ◽

Battery Anode

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Combining density functional theory and 23Na NMR to characterize Na2FePO4F as a potential sodium ion battery cathode

Solid State Nuclear Magnetic Resonance ◽

10.1016/j.ssnmr.2019.07.001 ◽

2019 ◽

Vol 103 ◽

pp. 1-8 ◽

Cited By ~ 3

Author(s):

Danielle L. Smiley ◽

Dany Carlier ◽

Gillian R. Goward

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Sodium Ion ◽

Sodium Ion Battery ◽

Functional Theory ◽

23Na Nmr

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Density Functional Theory Research into the Reduction Mechanism for the Solvent/Additive in a Sodium-Ion Battery

ChemSusChem ◽

10.1002/cssc.201601356 ◽

2017 ◽

Vol 10 (4) ◽

pp. 786-796 ◽

Cited By ~ 21

Author(s):

Qi Liu ◽

Daobin Mu ◽

Borong Wu ◽

Lei Wang ◽

Liang Gai ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Sodium Ion ◽

Sodium Ion Battery ◽

Reduction Mechanism ◽

Functional Theory ◽

Solvent Additive ◽

Theory Research

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Thioindigo: A novel cathode material of sodium ion battery predicted through dispersion-corrected density functional theory

Computational Materials Science ◽

10.1016/j.commatsci.2017.11.022 ◽

2018 ◽

Vol 143 ◽

pp. 255-261 ◽

Cited By ~ 1

Author(s):

Wanwan Zhang ◽

Pengkun Sun ◽

Huijiao Wu ◽

Shaorui Sun

Keyword(s):

Density Functional Theory ◽

Cathode Material ◽

Density Functional ◽

Sodium Ion ◽

Sodium Ion Battery ◽

Functional Theory

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Mechanism of sodium adsorption on N-doped graphene nanoribbons for sodium ion battery applications: A density functional theory approach

Carbon ◽

10.1016/j.carbon.2017.04.033 ◽

2017 ◽

Vol 119 ◽

pp. 492-501 ◽

Cited By ~ 26

Author(s):

Hong Woo Lee ◽

Hye Sook Moon ◽

Jaehyun Hur ◽

Il Tae Kim ◽

Min Sang Park ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Graphene Nanoribbons ◽

Sodium Ion ◽

Sodium Ion Battery ◽

Theory Approach ◽

Functional Theory ◽

Doped Graphene

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Effects of heteroatom doping on the performance of graphene in sodium-ion batteries: A density functional theory investigation

Carbon ◽

10.1016/j.carbon.2018.08.071 ◽

2018 ◽

Vol 140 ◽

pp. 276-285 ◽

Cited By ~ 29

Author(s):

Kimal Chandula Wasalathilake ◽

Godwin A. Ayoko ◽

Cheng Yan

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Sodium Ion ◽

Sodium Ion Batteries ◽

Functional Theory ◽

Heteroatom Doping

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Transition from concerted to stepwise processes as a function of leaving group ability: density functional theory and experimental study of lyoxide-promoted cleavages of phosphorothioate and phosphate triesters in water and methanol

Journal of Physical Organic Chemistry ◽

10.1002/poc.1938 ◽

2011 ◽

Vol 25 (5) ◽

pp. 437-449 ◽

Cited By ~ 6

Author(s):

Christopher I. Maxwell ◽

C. Tony Liu ◽

Alexei A. Neverov ◽

Nicholas J. Mosey ◽

Robert Stan Brown

Keyword(s):

Density Functional Theory ◽

Experimental Study ◽

Density Functional ◽

Functional Theory ◽

Leaving Group ◽

Leaving Group Ability

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A theoretical and experimental study on meridional–facial isomerization of tris(quinolin-8-olate)aluminum (Alq3)

Dalton Transactions ◽

10.1039/c4dt01121j ◽

2014 ◽

Vol 43 (34) ◽

pp. 12824-12827 ◽

Cited By ~ 5

Author(s):

I. Iwakura ◽

H. Ebina ◽

K. Komori-Orisaku ◽

Y. Koide

Keyword(s):

Density Functional Theory ◽

Experimental Study ◽

Dft Calculations ◽

Distribution Ratio ◽

Density Functional ◽

Stereospecific Synthesis ◽

Functional Theory

The rationale behind the stereospecific synthesis of a facial isomer of tris(quinolin-8-olate)aluminum (Alq3) is studied by density functional theory (DFT) calculations, which predict the favourable influence of an H3O+ ion on the distribution ratio between a meridional and a thermodynamically unstable facial isomer.

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Interaction of a 1,3-Dicarbonyl Toxin with Ru(II)-Biimidazole Complexes for Luminescence Sensing: A Spectroscopic and Photochemical Experimental Study Rationalized by Time-Dependent Density Functional Theory Calculations

Inorganic Chemistry ◽

10.1021/acs.inorgchem.1c02887 ◽

2021 ◽

Author(s):

José Quílez-Alburquerque ◽

Cristina García-Iriepa ◽

Marco Marazzi ◽

Ana B. Descalzo ◽

Guillermo Orellana

Keyword(s):

Density Functional Theory ◽

Experimental Study ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Time Dependent ◽

Functional Theory ◽

Dependent Density

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Ethylene carbonate adsorption on the major surfaces of lithium manganese oxide Li1−xMn2O4 spinel (0.000 < x < 0.375): a DFT+U-D3 study

Physical Chemistry Chemical Physics ◽

10.1039/c9cp05658k ◽

2020 ◽

Vol 22 (12) ◽

pp. 6763-6771

Author(s):

Brian Ramogayana ◽

David Santos-Carballal ◽

Pablo A. Aparicio ◽

Matthew G. Quesne ◽

Khomotso P. Maenetja ◽

...

Keyword(s):

Density Functional Theory ◽

Cathode Material ◽

Manganese Oxide ◽

Density Functional ◽

Ethylene Carbonate ◽

Surface Reactivity ◽

Lithium Manganese Oxide ◽

Functional Theory ◽

Lithium Manganese ◽

Spinel Cathode

Surface reactivity of LiMn2O4 spinel cathode material towards ethylene carbonate (EC) electrolyte solvent using density functional theory (DFT).

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