Vertically Oriented Propylene Carbonate Molecules and Tetraethyl Ammonium Ions in Carbon Slit Pores | Zendy

Masafumi Fukano | Zendy; Toshihiko Fujimori | Zendy; Julie Ségalini | Zendy; Etsuro Iwama | Zendy; PierreLouis Taberna | Zendy; Taku Iiyama | Zendy; Tomonori Ohba | Zendy; Hirofumi Kanoh | Zendy; Yury Gogotsi | Zendy; Patrice Simon | Zendy; Katsumi Kaneko | Zendy

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Vertically Oriented Propylene Carbonate Molecules and Tetraethyl Ammonium Ions in Carbon Slit Pores

Author(s) -

Masafumi Fukano,

Toshihiko Fujimori,

Julie Ségalini,

Etsuro Iwama,

PierreLouis Taberna,

Taku Iiyama,

Tomonori Ohba,

Hirofumi Kanoh,

Yury Gogotsi,

Patrice Simon,

Katsumi Kaneko

Publication year - 2013

Publication title -

the journal of physical chemistry c

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.401

H-Index - 289

eISSN - 1932-7455

pISSN - 1932-7447

DOI - 10.1021/jp311896q

Subject(s) - propylene carbonate , molecule , materials science , ion , supercapacitor , carbonate , carbon fibers , radial distribution function , chemical engineering , crystallography , chemistry , composite material , molecular dynamics , organic chemistry , electrochemistry , computational chemistry , electrode , composite number , engineering , metallurgy

International audienceWe report the vertical alignment of propylene carbonate (PC) molecules interacting with Et4N+ and BF4– which are confined in extremely narrow slit pores (w ∼ 0.7 nm) of carbide-derived carbon and pitch-based activated carbon fiber. On the basis of X-ray diffraction (XRD), electron radial distribution function analysis reveals that the nearest PC–PC distance is 0.05–0.06 nm shorter than that in the bulk solution, indicating dense packing of PC molecules in the pores. This confinement effect results from the vertically aligned PC molecules, which are indicated by the reverse Monte Carlo analysis. The ensemble structure of PC molecules in the subnanometer carbon pores will provide better understanding the supercapacitor function

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