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ssbauer spectroscopic parametersKaneko, Masashi
Hosha Kagaku, (35), p.36 - 39, 2017/03
This paper is an article for research introduction by winner of the Japan Society of Nuclear and Radiochemical Sciences Encouragement Price 2016. It was mentioned about the achievements which revealed the spin transition behavior of iron complex and the separation mechanism of actinides from lanthanides.
Muramatsu, Yasuji; Hirono, Shigeru*; Umemura, Shigeru*; Ueno, Yuko*; Hayashi, Takayoshi*; Grush, M. M.*; Gullikson, E. M.*; Perera, R. C. C.*
Carbon, 39(9), p.1403 - 1407, 2001/06
Times Cited Count：18 Percentile：58.27(Chemistry, Physical)no abstracts in English
Muramatsu, Yasuji; Ueno, Yuko*; Ishiwata, Yoichi*; Eguchi, Ritsuko*; Watanabe, Masamitsu*; Shin, S.*; Perera, R. C. C.*
Carbon, 39(9), p.1359 - 1402, 2001/06
no abstracts in English
Muramatsu, Yasuji; Takenaka, Hisataka*; Ueno, Yuko*; Gullikson, E. M.*; Perera, R. C. C.*
Applied Physics Letters, 77(17), p.2653 - 2655, 2000/10
Times Cited Count：13 Percentile：51.45(Physics, Applied)no abstracts in English
Baba, Yuji; Shimoyama, Iwao
no journal, ,
no abstracts in English
Kaneko, Masashi
no journal, ,
Density functional theory (DFT) calculations have been employed to understand the equilibrium structures, electronic states, and stabilities of minor-actinides (MA) and lanthanides (Ln) complexes. An previous application of DFT calculation to the MA/Ln separation has indicated that the Am/Eu selectivity can be explained by the stability in complexation reaction. However, the origin of Am/Eu selectivity remains unclear. This study aims to understand the origin by correlating the stability of their complexes with the covalency in metal-ligand coordination bonds by means of scalar-relativistic DFT calculations. After an optimization of DFT method using benchmark study with Mssbauer spectroscopic parameters, we applied the DFT method to the separation of Am from Eu and analyzed the bonding states between metal and ligands in Eu and Am complexes. As a result, it was found that the wave functions of Eu ion with ligands have syn-phase overlap not depending on donor atoms, whereas those of Am ion have syn-phase overlap in the case of sulfur donors and anti-phase in the case of oxygen donors. This indicates that the difference in bonding states between metal and ligands is an origin in the Am/Eu selectivity.
Arai, Taiki*; Qiao, Y.*; Suzuki, Toshiaki*; Yoshigoe, Akitaka; Motohashi, Mitsuya*
no journal, ,
Si oxide films are currently widely used as insulating materials in electronic devices and biomaterials. The chemical bonding of these films significantly influences the properties of each device, thus it is particularly necessary to understand and control the chemical bonds between Si and O in the films in detail. In this study, the Si oxide films formed by anodic oxidation on Si surfaces in extremely low concentrations of HF solutions were analyzed by X-ray photoelectron spectroscopy on Si2p and F1s spectra. Although the HF concentration is in the order of ppm, the films contain percent order of F atoms, suggesting the formation of Si-F and Si-O-F bonds in the films. It was also found that the different depth profiles for F and O atoms was observed, indicating that the surface reaction processes seem to be different depending on each element.
