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| Hauptseite > Publikationsdatenbank > Unraveling the Role of Earth-Abundant Fe in the Suppression of Jahn–Teller Distortion of P′2-Type Na 2/3 MnO 2 : Experimental and Theoretical Studies > print |
| Hauptseite > Publikationsdatenbank > Unraveling the Role of Earth-Abundant Fe in the Suppression of Jahn–Teller Distortion of P′2-Type Na 2/3 MnO 2 : Experimental and Theoretical Studies > print |
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| 100 | 1 | _ | |a Choi, Ji Ung |0 P:(DE-HGF)0 |b 0 |
| 245 | _ | _ | |a Unraveling the Role of Earth-Abundant Fe in the Suppression of Jahn–Teller Distortion of P′2-Type Na 2/3 MnO 2 : Experimental and Theoretical Studies |
| 260 | _ | _ | |a Washington, DC |c 2018 |b Soc. |
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| 520 | _ | _ | |a Layered Na2/3MnO2 suffers from capacity loss due to Jahn–Teller (J–T) distortion by Mn3+ ions. Herein, density functional theory calculations suggest Na2/3[FexMn1–x]O2 suppresses the J–T effect. The Fe substitution results in a decreased oxygen–metal–oxygen length, leading to decreases in the b and c lattice parameters but an increase in the a lattice constant. As a result, the capacity retention and rate capability are enhanced with an additional redox pair associated with Fe4+/3+. Finally, the thermal properties are improved, with the Fe substitution delaying the exothermic reaction and reducing exothermic heat. |
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| 700 | 1 | _ | |a Myung, Seung-Taek |0 0000-0001-6888-5376 |b 5 |e Corresponding author |
| 773 | _ | _ | |a 10.1021/acsami.8b16522 |g Vol. 10, no. 48, p. 40978 - 40984 |0 PERI:(DE-600)2467494-1 |n 48 |p 40978 - 40984 |t ACS applied materials & interfaces |v 10 |y 2018 |x 1944-8252 |
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