Adsorption Properties of BF4- Anions on Graphene

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概要

• 論文の詳細を見る

• We theoretically have been investigating the basic adsorption properties of BF4- anions on graphene as the first step in researching the properties of carbon nanotube (CNT) electrodes in an electric double layer capacitor. To clarify the basic adsorption properties, we used the first principles calculation based on the density functional theory with the generalized gradient approximation for the exchange–correlation energy. As for the results, we found that the adsorbed configuration of BF4- anions on graphene changes as their nearest neighbor distance decreases. We show that the electric dipole moment per unit area of BF4- adsorbed on graphene increases as the nearest neighbor anion distance decreases. On the other hand, the electric dipole moment per BF4- anion decreases as the nearest anion neighbor distance decreases. We also found that BF4- anions adsorbed on both sides of graphene are more stable than those on one side.

• 2010-02-25

著者

• Kunisada Yuji

  Department Of Applied Chemistry Faculty Of Engineering Okayama University

• Melanie Yadao

  Department of Precision Science and Technology and Applied Physics, Osaka University, Suita, Osaka 565-0871, Japan

• Hirofumi Kishi

  Department of Precision Science and Technology and Applied Physics, Osaka University, Suita, Osaka 565-0871, Japan

• Kishi Hirofumi

  Department of Applied Physics, Graduate School of Engineering, Osaka University, Suita, Osaka 565-0871, Japan

• Hiroshi Nakanishi

  Department of Precision Science and Technology and Applied Physics, Osaka University, Suita, Osaka 565-0871, Japan

• Hideaki Kasai

  Department of Precision Science and Technology and Applied Physics, Osaka University, Suita, Osaka 565-0871, Japan

• Yuji Kunisada

  Department of Precision Science and Technology and Applied Physics, Osaka University, Suita, Osaka 565-0871, Japan

• Dimas Fajarisandi

  Department of Precision Science and Technology and Applied Physics, Osaka University, Suita, Osaka 565-0871, Japan

• Takuma Asari

  Advanced Device Development Center, Panasonic Corporation, Moriguchi, Osaka 570-8501, Japan

• Shigeo Hayashi

  Advanced Device Development Center, Panasonic Corporation, Moriguchi, Osaka 570-8501, Japan

• Fajarisandi Dimas

  Department of Precision Science and Technology and Applied Physics, Osaka University, Suita, Osaka 565-0871, Japan

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