Conversion-reaction mechanism in lithium-ion batteries from the first-principles point of view

CoordinatorChen, Kai-Xuan
Grant period2019-11-01 - 2020-10-31
Funding bodyVSR/JARA
IdentifierG:(DE-Juel1)jara0179_20191101

Conversion-reaction mechanism in lithium-ion batteries from the first-principles point of view

Note: JSC computation time grant
 

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Structural Properties of NdTiO 2+ x N 1– x and Its Application as Photoanode
Inorganic chemistry 60(2), 919 - 929 () [10.1021/acs.inorgchem.0c03041] BibTeX | EndNote: XML, Text | RIS

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Reversible High Capacity and Reaction Mechanism of Cr 2 (NCN) 3 Negative Electrodes for Li‐Ion Batteries
Energy technology 8(3), 1901260 - () [10.1002/ente.201901260] BibTeX | EndNote: XML, Text | RIS

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Quantum‐Chemical Study of the FeNCN Conversion‐Reaction Mechanism in Lithium‐ and Sodium‐Ion Batteries
Angewandte Chemie / International edition 59(9), 3718 - 3723 () [10.1002/anie.201914760] BibTeX | EndNote: XML, Text | RIS

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It's All in the (Cyanamide) Tilt: Synthesis and Structure of NaSc(NCN) 2
European journal of inorganic chemistry 2020(27), 2596 - 2602 () [10.1002/ejic.202000244] BibTeX | EndNote: XML, Text | RIS

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First-Principles Study of Divalent 3d Transition-Metal Carbodiimides
The journal of physical chemistry <Washington, DC> / A 123(43), 9328 - 9335 () [10.1021/acs.jpca.9b05799] BibTeX | EndNote: XML, Text | RIS

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 Record created 2020-09-21, last modified 2020-09-21



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