![(a) Formation energies of mixing enthalpy considering all possible Li ions and their vacancies as a function of normalized inverse Li content (x) in Li1-xMn0.5O1.5 for 0 ≤ x ≤ 1. (b) Atomic model of Li2MnO3 (or denoted as Li[Li1/3Mn2/3]O2). (c) Combined graphs of partial density of states of Mn 3d-electron and O 2p-electron in Li2MnO3](https://nrms.kisti.re.kr/bitextimages/TRKO202100017634/TRKO202100017634_5_image_1.png "(a) Formation energies of mixing enthalpy considering all possible Li ions and their vacancies as a function of normalized inverse Li content (x) in Li1-xMn0.5O1.5 for 0 ≤ x ≤ 1. (b) Atomic model of Li2MnO3 (or denoted as Li[Li1/3Mn2/3]O2). (c) Combined graphs of partial density of states of Mn 3d-electron and O 2p-electron in Li2MnO3")
![Atomic models of P2-type NaMnO2 (NMO) and NaNiO2(NNO), illustrating Na: yellow, Mn: purple, Ni: gray, and O: red, respectively. (b) Formation energies of mixing enthalpy considering a binary mixture of NMO and NNO as a function of Ni content (x) in Na[Mn1-xNix]O2, displaying the ground and pseudoground states at each Ni/Mn ratio as red and gray filled circles](https://nrms.kisti.re.kr/bitextimages/TRKO202100017634/TRKO202100017634_6_image_1.png "Atomic models of P2-type NaMnO2 (NMO) and NaNiO2(NNO), illustrating Na: yellow, Mn: purple, Ni: gray, and O: red, respectively. (b) Formation energies of mixing enthalpy considering a binary mixture of NMO and NNO as a function of Ni content (x) in Na[Mn1-xNix]O2, displaying the ground and pseudoground states at each Ni/Mn ratio as red and gray filled circles")
![(a) Unit cell volumes, also expressed using Vegard’s law, and average bonding lengths of (b) Mn-O, (c) Ni-O, and (d) Na-O as a function of Ni content (x) in Na[Mn1-xNix]O2, their bonding lengths were carefully fitted using a first order polynomial based on the two regions (0.0 ≤ x ≤ 0.5 and 0.5 ≤ x ≤ 1.0)](https://nrms.kisti.re.kr/bitextimages/TRKO202100017634/TRKO202100017634_7_image_1.png "(a) Unit cell volumes, also expressed using Vegard’s law, and average bonding lengths of (b) Mn-O, (c) Ni-O, and (d) Na-O as a function of Ni content (x) in Na[Mn1-xNix]O2, their bonding lengths were carefully fitted using a first order polynomial based on the two regions (0.0 ≤ x ≤ 0.5 and 0.5 ≤ x ≤ 1.0)")
![Chemical potential of NaMnO2 and Na[Mn1/2Ni1/2]O2 at room temperature with respect to the inverse Na content x, which has four distant characteristic regions. The comparison between NaMnO2 (left graph) and Na[Mn1/2Ni1/2]O2 (right graph) in different regions are shown, and the colored regions (green: NaMnO2, orange: Na[Mn1/2Ni1/2]O2) indicate the gap of hysteresis](https://nrms.kisti.re.kr/bitextimages/TRKO202100017634/TRKO202100017634_13_image_1.png "Chemical potential of NaMnO2 and Na[Mn1/2Ni1/2]O2 at room temperature with respect to the inverse Na content x, which has four distant characteristic regions. The comparison between NaMnO2 (left graph) and Na[Mn1/2Ni1/2]O2 (right graph) in different regions are shown, and the colored regions (green: NaMnO2, orange: Na[Mn1/2Ni1/2]O2) indicate the gap of hysteresis")
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| 주관연구기관 | 경희대학교 Kyung Hee University |
|---|---|
| 연구책임자 | 김두호 |
| 보고서유형 | 최종보고서 |
| 발행국가 | 대한민국 |
| 언어 | 한국어 |
| 발행년월 | 2021-03 |
| 과제시작연도 | 2020 |
| 주관부처 | 과학기술정보통신부 Ministry of Science and ICT |
| 연구관리전문기관 | 한국연구재단 National Research Foundation of Korea |
| 등록번호 | TRKO202100017634 |
| 과제고유번호 | 1711107534 |
| 사업명 | 개인기초연구(과기정통부)(R&D) |
| DB 구축일자 | 2022-02-19 |
| 키워드 | 소듐이온 배터리.양극소재.음이온 산화/환원.재료설계.계산과학.Sodium-ion batteries.Cathode materials.Anionic redox.Material design.Calculation science. |
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