Theoretical study on graphite and lithium metal as anode materials for next-generation rechargeable batteries
著者
書誌事項
Theoretical study on graphite and lithium metal as anode materials for next-generation rechargeable batteries
(Springer theses : recognizing outstanding Ph. D. research)
Springer, c2022
大学図書館所蔵 全1件
  青森
  岩手
  宮城
  秋田
  山形
  福島
  茨城
  栃木
  群馬
  埼玉
  千葉
  東京
  神奈川
  新潟
  富山
  石川
  福井
  山梨
  長野
  岐阜
  静岡
  愛知
  三重
  滋賀
  京都
  大阪
  兵庫
  奈良
  和歌山
  鳥取
  島根
  岡山
  広島
  山口
  徳島
  香川
  愛媛
  高知
  福岡
  佐賀
  長崎
  熊本
  大分
  宮崎
  鹿児島
  沖縄
  韓国
  中国
  タイ
  イギリス
  ドイツ
  スイス
  フランス
  ベルギー
  オランダ
  スウェーデン
  ノルウェー
  アメリカ
注記
"Doctoral thesis accepted by Seoul National University, Seoul, Sourth Korea"
Includes bibliographical references
内容説明・目次
内容説明
This thesis describes in-depth theoretical efforts to understand the reaction mechanism of graphite and lithium metal as anodes for next-generation rechargeable batteries. The first part deals with Na intercalation chemistry in graphite, whose understanding is crucial for utilizing graphite as an anode for Na-ion batteries. The author demonstrates that Na ion intercalation in graphite is thermodynamically unstable because of the unfavorable Na-graphene interaction. To address this issue, the inclusion of screening moieties, such as solvents, is suggested and proven to enable reversible Na-solvent cointercalation in graphite. Furthermore, the author provides the correlation between the intercalation behavior and the properties of solvents, suggesting a general strategy to tailor the electrochemical intercalation chemistry. The second part addresses the Li dendrite growth issue, which is preventing practical application of Li metal anodes. A continuum mechanics study considering various experimental conditions reveals the origins of irregular growth of Li metal. The findings provide crucial clues for developing effective counter strategies to control the Li metal growth, which will advance the application of high-energy-density Li metal anodes.
目次
1 Introduction 1
1.1 Demands for energy storage system 1
1.2 Li-ion batteries 1
1.3 Post Li-ion batteries 3
1.3.1 Na-ion batteries 3
1.3.2 Li metal batteries 5
1.4 References 6
2 Na intercalation chemistry in graphite 9
2.1 Introduction 9
2.2 Experimental and computational details 10
2.2.1 Materials 10
2.2.2 Electrode preparation and electrochemical measurements 10
2.2.3 Operando XRD analysis 11
2.2.4 Computational details 11
2.3 Staging behavior upon Na-solvent co-intercalation 12
2.4 Na-solvent co-intercalation into graphite structure 15
2.5 Solvent dependency on electrochemical properties 20
2.6 Conclusions 24
2.7 References 27
3 Conditions for reversible Na intercalation in graphite 31
3.1 Introduction 31
3.2 Computational details 32
3.3 Unstable Na intercalation in graphite 33
3.3.1 Destabilization energy of metal reconstruction 35
3.3.2 Destabilization energy of graphite framework upon intercalation 37
3.3.3 Local interaction between alkali metal ions and the graphite framework 37
3.3.4 Mitigating the unfavorable local interaction between Na and graphene layers 39
3.4 Conditions of solvents for reversible Na intercalation into graphite 41
3.4.1 Solvent dependency on reversible Na-solvent co-intercalation behavior 41
3.4.2 Thermodynamic stability of Na-solvent complex 43
3.4.3 Chemical stability of Na-solvent complex 46
3.4.4 Unified picture of Na-solvent co-intercalation behavior 47
3.5 Conclusions 48
3.6 References 48
4 Electrochemical deposition and stripping behavior of Li metal 53
4.1 Introduction 53
4.2 Computational details 55
4.3 Effect of deposition rate 57
4.4 Effect of surface geometry 60
4.5 Implications of SEI layer properties 63
4.6 Consequences of the history of deposition and stripping 70
4.7 Conclusions 72
4.8 References 72
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