Статья

Quantum Effects on Hydrogen Isotope Adsorption on Single-Wall Carbon Nanohorns

Hideki TanakaContribution from the Diversity and Fractal Science, Graduate School of Science and Technology, Chiba University, 1-33 Yayoi, Inage, Chiba 263-8522, Japan, Department of Chemistry, Faculty of Science, Chiba University, 1-33 Yayoi, Inage, Chiba 263-8522, Japan, SORST, Japan Science and Technology Agency, c/o NEC Corporation, 34 Miyukigaoka, Tsukuba 305-8501, Japan, NEC Corporation, 34 Miyukigaoka, Tsukuba 305-8501, Japan, and Department of Physics, Meijo University, 1-501 Shiogamaguchi, Tenpaku, NagoyaHirofumi KanohContribution from the Diversity and Fractal Science, Graduate School of Science and Technology, Chiba University, 1-33 Yayoi, Inage, Chiba 263-8522, Japan, Department of Chemistry, Faculty of Science, Chiba University, 1-33 Yayoi, Inage, Chiba 263-8522, Japan, SORST, Japan Science and Technology Agency, c/o NEC Corporation, 34 Miyukigaoka, Tsukuba 305-8501, Japan, NEC Corporation, 34 Miyukigaoka, Tsukuba 305-8501, Japan, and Department of Physics, Meijo University, 1-501 Shiogamaguchi, Tenpaku, NagoyaMasako YudasakaContribution from the Diversity and Fractal Science, Graduate School of Science and Technology, Chiba University, 1-33 Yayoi, Inage, Chiba 263-8522, Japan, Department of Chemistry, Faculty of Science, Chiba University, 1-33 Yayoi, Inage, Chiba 263-8522, Japan, SORST, Japan Science and Technology Agency, c/o NEC Corporation, 34 Miyukigaoka, Tsukuba 305-8501, Japan, NEC Corporation, 34 Miyukigaoka, Tsukuba 305-8501, Japan, and Department of Physics, Meijo University, 1-501 Shiogamaguchi, Tenpaku, NagoyaSumio IijimaContribution from the Diversity and Fractal Science, Graduate School of Science and Technology, Chiba University, 1-33 Yayoi, Inage, Chiba 263-8522, Japan, Department of Chemistry, Faculty of Science, Chiba University, 1-33 Yayoi, Inage, Chiba 263-8522, Japan, SORST, Japan Science and Technology Agency, c/o NEC Corporation, 34 Miyukigaoka, Tsukuba 305-8501, Japan, NEC Corporation, 34 Miyukigaoka, Tsukuba 305-8501, Japan, and Department of Physics, Meijo University, 1-501 Shiogamaguchi, Tenpaku, NagoyaKatsumi KanekoContribution from the Diversity and Fractal Science, Graduate School of Science and Technology, Chiba University, 1-33 Yayoi, Inage, Chiba 263-8522, Japan, Department of Chemistry, Faculty of Science, Chiba University, 1-33 Yayoi, Inage, Chiba 263-8522, Japan, SORST, Japan Science and Technology Agency, c/o NEC Corporation, 34 Miyukigaoka, Tsukuba 305-8501, Japan, NEC Corporation, 34 Miyukigaoka, Tsukuba 305-8501, Japan, and Department of Physics, Meijo University, 1-501 Shiogamaguchi, Tenpaku, Nagoya

2005en

ABI

Аннотация

H(2) and D(2) adsorption on single-wall carbon nanohorns (SWNHs) have been measured at 77 K, and the experimental data were compared with grand canonical Monte Carlo simulations for adsorption of these hydrogen isotopes on a model SWNH. Quantum effects were included in the simulations through the Feynman-Hibbs effective potential. The simulation predictions show good agreement with the experimental results and suggest that the hydrogen isotope adsorption at 77 K can be successfully explained with the use of the effective potential. According to the simulations, the hydrogen isotopes are preferentially adsorbed in the cone part of the SWNH with a strong potential field, and quantum effects cause the density of adsorbed H(2) inside the SWNH to be 8-26% smaller than that of D(2). The difference between H(2) and D(2) adsorption increases as pressure decreases because the quantum spreading of H(2), which is wider than that of D(2), is fairly effective at the narrow conical part of the SWNH model. These facts indicate that quantum effects on hydrogen adsorption depend on pore structures and are very important even at 77 K.

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Идентификаторы

DOI: 10.1021/ja0502573

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Цитирований: 2Использованных источников: 0

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