Primary study2022
High performance Li-, Na-, and K-ion storage in electrically conducting coordination polymers
Wang J., Guo X., Apostol P. et al. · Energy and Environmental Science · 2022
Reported here: DFT TM-PTtSA one-dimensional chain models
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DFT TM-PTtSA one-dimensional chain models
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2022–2022publication span
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| Paper and reported name | Formula and components | Structure context | Source |
|---|---|---|---|
| DFT TM-PTtSA one-dimensional chain models2022 · High performance Li-, Na-, and K-ion storage in electrically conducting coordination polymers | Periodic TM-PTtSA chain models, TM = Co, Fe, or Mn; Q = 0 and Q = -4 charge statesCo, Fe, or Mn sites in periodic one-dimensional chains · PTtSA units | 1D · Model SystemPeriodic boundary condition chain model with two PTtSA units per unit cell, separated laterally by 65 A. | p026 / SI p.26 · DFT Calculation Section · Figure S17 |