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Hou, Z.*; Shu, D.-J.*; Chai, G.-L.*; Ikeda, Takashi; Terakura, Kiyoyuki*
Journal of Physical Chemistry C, 118(34), p.19795 - 19805, 2014/08
Times Cited Count：11 Percentile：35.52(Chemistry, Physical)In most of the N-doped graphene which attracts strong attention in the context of precious-metal free catalysts and nanoelectronics, the oxygen content is generally higher than or at least comparable to the nitrogen content. We perform density functional theory calculations to study the interplay of oxidized monovacancies and the nitrogen doping, motivated by the fact that MV is more frequently observed and more chemically active than divacancy and Stone-Wales defect. We determine the phase diagrams of un-doped and nitrogen-doped oxidized MVs as a function of temperature and partial pressure of O
and H gases. The modification of the electronic structure of MV by oxidation and N doping is studied. Our results show that the ether group is a common component in stable configurations of oxidized MVs. Most of the stable configurations of oxidized MVs do not induce any carriers.
hole-assisted electronic processes in the Pr
Sr
MnO
(x=0.0, 0.3) systemIbrahim, K.*; Qian, H. J.*; Wu, X.*; Abbas, M. I.*; Wang, J. O.*; Hong, C. H.*; Su, R.*; Zhong, J.*; Dong, Y. H.*; Wu, Z. Y.*; et al.
Physical Review B, 70(22), p.224433_1 - 224433_9, 2004/12
Times Cited Count：30 Percentile：75.73(Materials Science, Multidisciplinary)no abstracts in English
F compounds in fluorine-implanted TiOYamaki, Tetsuya; Sumita, Taishi; Yamamoto, Shunya
Journal of Materials Science Letters, 21(1), p.33 - 35, 2001/01
Times Cited Count：90 Percentile：91.08(Materials Science, Multidisciplinary)We showed the effects of 200 keV F
implantation in TiO rutile single crystals followed by the thermal annealing. The isochronal annealing at 573 and 873 K for 5 h for each step led to the formation of an F-doped TiO phase, along with the recovery of the radiation damage and the simultaneous impurity diffusion. This phase was identified to be a TiOF compound with x = 0.0039 in the outmost region as determined by X-ray photoelectron spectroscopy (probably the first few atomic layers). The fluorination of TiO leads to interesting characteristics and opens avenues towards photoelectronic films with various applications. In addition, our method enabled dopants to be introduced in a controlled manner at specific locations to realize impurity concentration gradients in TiO.
Kaieda, Keisuke
Hoshasen To Sangyo, (81), p.42 - 45, 1999/00
no abstracts in English
Nakamura, Kazuyuki; ; Dairaku, Masayuki; ; Okumura, Yoshikazu; ; Jimbo, Ryutaro*; Bandourko, V.*; Akiba, Masato
Journal of Nuclear Materials, 258-263, p.828 - 832, 1998/00
Times Cited Count：4 Percentile：38.66(Materials Science, Multidisciplinary)no abstracts in English
;
Genshiryoku Kogyo, 25(1), p.65 - 69, 1979/00
no abstracts in English
Radioisotopes, 26(11), P. 1772, 1977/11
no abstracts in English
Ishiyama, Shintaro
no journal, ,
To prevent vaporization damage of BNCT (Boron Neutron Capture Therapy) lithium target during operation, direct synthesis of LiN thinlayer on lithium target surface was demonstrated in 0.1 MPa N gas at temperature below 548K and the following conclusions were derived; (1) Synthesis of LiN thin layer on lithium surface was confirmed after nitridation at 276-548K with surface contamination by oxygen and carbon. (2) Rapid nitridation over 15mass%/min was observed above Li melting temperature, whereas slow reaction under 0.02-0.5 mass%/minbelow melting temperature. (3) During nitridation, removal of oxygen contamination on LiN thin layer is taken place by nitrogen below Limelting temperature.
