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Designing flexible 2D transition metal carbides with strain-controllable lithium storage
Zhang, Hang; Fu, Zhongheng; Zhang, Ruifeng; Zhang, Qianfan; Tian, Hongzhen; Legut, Dominik; Germann, Timothy C.; Guo, Yuanqi; Du, Shiyu; Francisco, Joseph S.
2017
发表期刊PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
卷号114期号:52页码:E11082-E11091
摘要Efficient flexible energy storage systems have received tremendous attention due to their enormous potential applications in self-powering portable electronic devices, including roll-up displays, electronic paper, and "smart" garments outfitted with piezoelectric patches to harvest energy from body movement. Unfortunately, the further development of these technologies faces great challenges due to a lack of ideal electrode materials with the right electrochemical behavior and mechanical properties. MXenes, which exhibit outstanding mechanical properties, hydrophilic surfaces, and high conductivities, have been identified as promising electrode material candidates. In this work, taking 2D transition metal carbides (TMCs) as representatives, we systematically explored several influencing factors, including transition metal species, layer thickness, functional group, and strain on their mechanical properties (e.g., stiffness, flexibility, and strength) and their electrochemical properties (e.g., ionic mobility, equilibrium voltage, and theoretical capacity). Considering potential charge-transfer polarization, we employed a charged electrode model to simulate ionic mobility and found that ionic mobility has a unique dependence on the surface atomic configuration influenced by bond length, valence electron number, functional groups, and strain. Under multiaxial loadings, electrical conductivity, high ionic mobility, low equilibrium voltage with good stability, excellent flexibility, and high theoretical capacity indicate that the bare 2D TMCs have potential to be ideal flexible anode materials, whereas the surface functionalization degrades the transport mobility and increases the equilibrium voltage due to bonding between the nonmetals and Li. These results provide valuable insights for experimental explorations of flexible anode candidates based on 2D TMCs.
关键词Li-ion Batteries 2-dimensional Titanium Carbide High Volumetric Capacitance Energy-storage High-performance Anode Materials 1st Principles Ti3c2 Mxene Graphene Intercalation
学科领域Engineering ; Materials Science ; Physics
语种英语
文献类型期刊论文
条目标识符http://ir.nimte.ac.cn/handle/174433/17483
专题2017专题
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GB/T 7714
Zhang, Hang,Fu, Zhongheng,Zhang, Ruifeng,et al. Designing flexible 2D transition metal carbides with strain-controllable lithium storage[J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,2017,114(52):E11082-E11091.
APA Zhang, Hang.,Fu, Zhongheng.,Zhang, Ruifeng.,Zhang, Qianfan.,Tian, Hongzhen.,...&Francisco, Joseph S..(2017).Designing flexible 2D transition metal carbides with strain-controllable lithium storage.PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,114(52),E11082-E11091.
MLA Zhang, Hang,et al."Designing flexible 2D transition metal carbides with strain-controllable lithium storage".PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 114.52(2017):E11082-E11091.
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