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Ionization of decaborane with controlled hydrogen content by charge transfer from ambient gas

Published online by Cambridge University Press:  04 April 2011

Yuji Ohishi ,
Kaoru Kimura ,
Masaaki Yamaguchi ,
Noriyuki Uchida  and
Toshihiko Kanayama
Yuji Ohishi
Affiliation:
Department of Nuclear Engineering, Graduate School of Engineering, Osaka University, Yamadaoka 2-1, Suita, Osaka 565-0871, Japan Department of Advanced Material Science, University of Tokyo, 5-1-5 Kashiwanoha, Kashiwa, Chiba 277-8561, Japan
Kaoru Kimura
Affiliation:
Department of Advanced Material Science, University of Tokyo, 5-1-5 Kashiwanoha, Kashiwa, Chiba 277-8561, Japan
Masaaki Yamaguchi
Affiliation:
Department of Advanced Material Science, University of Tokyo, 5-1-5 Kashiwanoha, Kashiwa, Chiba 277-8561, Japan
Noriyuki Uchida
Affiliation:
Nanodevice Innovation Research Center, National Institute of Advanced Industrial Science and Technology (NIRC), 1-1-1 Higashi, Tsukuba, Ibaraki 305-8562, Japan.
Toshihiko Kanayama
Affiliation:
Nanodevice Innovation Research Center, National Institute of Advanced Industrial Science and Technology (NIRC), 1-1-1 Higashi, Tsukuba, Ibaraki 305-8562, Japan.
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Abstract

We present the ionization of decaborane (B10H14) and formation of hydrogen- and boron-contents-controlled B10-yHx+ through the charge transfer from ambient gas ion to decaborane molecules in an external quadrupole static attraction ion trap. The charge transfer energy is estimated from the experimentally observed products. PBE0/6-311+G(d)//B3LYP/6-31G(d) level of DFT calculations are conducted to investigate the mechanism of charge transfer from ambient gas ion. The calculation of the difference of ionization energies and mismatch of orbital energies between decaborane and ambient gas reveals the mechanism of ionization.

Keywords

Bnanostructureelectronic structure
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1307: Symposium CC – Boron and Boron Compounds—From Fundamentals to Applications , 2011 , mrsf10-1307-cc05-17
Copyright
Copyright © Materials Research Society 2011

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References

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