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Extending nonhysteretic oxygen capacity in Ni-Mn binary oxides : doping with Vanadium-Ions theoretical and experimental studies

Extending nonhysteretic oxygen capacity in Ni-Mn binary oxides : doping with Vanadium-Ions theoretical and experimental studies

Material type
학위논문
Personal Author
구찬우, 具燦佑
Title Statement
Extending nonhysteretic oxygen capacity in Ni-Mn binary oxides : doping with Vanadium-Ions theoretical and experimental studies / 구찬우
Publication, Distribution, etc
Seoul :   Graduate School, Korea University,   2022  
Physical Medium
xiii, 49장 : 천연색삽화, 도표 ; 26 cm
기타형태 저록
Extending Nonhysteretic Oxygen Capacity in Ni-Mn Binary Oxides   (DCOLL211009)000000268945  
학위논문주기
학위논문(석사)-- 고려대학교 대학원: 화공생명공학과, 2022. 8
General Note
지도교수: 유승호  
Bibliography, Etc. Note
참고문헌: 장 45-49
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PDF 파일로도 이용가능;   Requires PDF file reader(application/pdf)  
비통제주제어
Layered oxides, Sodium-Ion batteries, V substitution, First-principles calculations, Oxygen redox,,
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100 1 ▼a 구찬우, ▼g 具燦佑
245 1 0 ▼a Extending nonhysteretic oxygen capacity in Ni-Mn binary oxides : ▼b doping with Vanadium-Ions theoretical and experimental studies / ▼d 구찬우
260 ▼a Seoul : ▼b Graduate School, Korea University, ▼c 2022
300 ▼a xiii, 49장 : ▼b 천연색삽화, 도표 ; ▼c 26 cm
500 ▼a 지도교수: 유승호
502 0 ▼a 학위논문(석사)-- ▼b 고려대학교 대학원: ▼c 화공생명공학과, ▼d 2022. 8
504 ▼a 참고문헌: 장 45-49
530 ▼a PDF 파일로도 이용가능; ▼c Requires PDF file reader(application/pdf)
653 ▼a Layered oxides ▼a Sodium-Ion batteries ▼a V substitution ▼a First-principles calculations ▼a Oxygen redox
776 0 ▼t Extending Nonhysteretic Oxygen Capacity in Ni-Mn Binary Oxides ▼w (DCOLL211009)000000268945
900 1 0 ▼a Koo, Chanwoo, ▼e
900 1 0 ▼a 유승호, ▼g 兪承鎬, ▼e 지도교수
900 1 0 ▼a Yu, Seung-Ho, ▼e 지도교수
945 ▼a ITMT

Electronic Information

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Extending nonhysteretic oxygen capacity in Ni-Mn binary oxides : doping with Vanadium-Ions theoretical and experimental studies (9회 열람)
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No. 1 Location Science & Engineering Library/Stacks(Thesis)/ Call Number 0510 6D5 1227 Accession No. 123069546 Availability Available Due Date Make a Reservation Service B M
No. 2 Location Science & Engineering Library/Stacks(Thesis)/ Call Number 0510 6D5 1227 Accession No. 123069547 Availability Available Due Date Make a Reservation Service B M

Contents information

Abstract

Abstract
Environmental degradation and resource depletion have brought a lot of attention to sustainable and eco-friendly energy sources.1 Developing high-energy-density cathode material for alternating lithium-ion batteries (LIBs) is crucial to fulfill the demands of a reasonable price.1 In this regard, sodium-ion batteries (SIBs) are considered as promising alternatives for large-scale applications. To improve the energy and power densities, a considerable amount of spotlight is placed on activating the oxygen redox (OR) process of Na layered-oxide cathodes because its reaction occurs in a high voltage region (~4.2 V) upon charging.1 Herein, we compare P2-type Ni-Mn binary oxide, Na2/3[Mn3/4Ni1/4]O2 (NMNO) and a V-doped Na2/3[Mn3/4Ni1/4]O2 (V-NMNO) based on a combined study of experiments and first-principles calculations.1 It is found that V-NMNO, compared with the bare material, extends the nonhysteretic oxygen capacity and exhibits an OR activity with prolonged and flatter plateau upon charging.1 This oxide provides a minimal voltage hysteresis that indicates high reversibility of OR reaction.1 Its remarkably well-defined plateau is attributed to the stabilization of the phase transition upon cycling to 4.3 V, which can be theoretically understood by the comparison of the formation energies of NMNO and V-NMNO.1 In addition, our experimental and computational results demonstrate that the nonhysteretic oxygen capacity combined with the partial Ni redox is extended under the host Ni−Mn binary oxide via V-substitution. From the systematic understandings on the two oxide models, our findings provide an intriguing direction for harnessing the full potential of OR reactions for high-energy-density SIBs.1

Table of Contents

Contents
Abstract	vi 
List of Figures	viii
List of Tables	xiii

1. Introduction	1
2. Experimental section	5
2.1. Synthesis of P2-Type Na2/3[VxMn3/4-xNi1/4]O2	5
2.2. Characterizations	6
2.3. Electrochemical Measurements	7
2.4. First-Principles Calculations	8
3. Results and Discussion	9
3.1. Materials and Electrochemical Characterization	9
3.2. Operando Analyzing Structural Evolution	21
3.3. Understanding Thermodynamic Phase stabilities of V-NMNO and NMNO	26
3.4. Charge Compensation Mechanism of V-NMNO and NMNO	32
4. Conclusion	43
References	45