Electrostatic properties of fullerenes under an external electric field: First-principles calculations of energetics for all IPR isomers from C60 to C78
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- 作者：Jun-ya Sorimachi ; jsorimachi@comas.frsc.tsukuba.ac.jp" class="auth_mail" title="E-mail the corresponding author ; Susumu Okada sokada@comas.frsc.tsukuba.ac.jp" class="auth_mail" title="E-mail the corresponding author
- 关键词：Fullerene ; Electric field ; Spherical dielectric ; Intrinsic polarization
- 刊名：Chemical Physics Letters
- 出版年：2016
- 出版时间：16 August 2016
- 年：2016
- 卷：659
- 期：Complete
- 页码：1-5
- 全文大小：1364 K
文摘
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The energy of the fullerene is proportional to the square of the electric field.
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The coefficient of the quadratic energy is sensitive to the fullerene cage.
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Low-symmetry fullerenes possess polarization.