2021年度
2021年度科研費計画書（金額は黒塗りにしました。）
2021-05-13 Submit a new PF Proposal
2021-05-13 PF activity report SUBMITTED
2021/05/14 Dr. John Rehr report about negative imaginary part of exchange card.
2021/06/16 PF EXP.Plan has been submitted.
2021/07/01 Dong san got award of the Chinese Scholarship.
2021/08/06 Daiki Kido is awarded a paper award from JSSVT
2021年度科研費計画書（金額は黒塗りにしました。）
20H00367_2021_A-4-1.pdf20H00367_2021_A-2-1x.pdf2021-05-13 Submit a new PF Proposal
40327251620726008983.pdf2021-05-13 PF activity report SUBMITTED
PTRF-XAFS Study of Spontaneous Deposition of Pt on Au(111)
Bing HU, Daiki KIDO, Kaiyue DONG, Md Harun Al RASHID, Satoru TAKAKUSAGI
and Kiyotaka ASAKURA*
PF acticity reports. 2020
2019G555.pdf2021/05/14 Prof. Dr. John Rehr report about negative imaginary part of exchange card.
I asked the validity of negative imaginary value of exchange card in FEFF.
His kind reply is
8:04 14 May JST
"Regarding HERFD -XANES, the technique has intermediate state broadening, which is typically a few tenths
of an eV and usually much less than deep hole full width lifetime-broadening which is called Gam_ch and always
added by default by FEFF for deep core-hole XAS. The value is tabulated from atomic data in FEFF and
reported in the header of the xmu.dat file.
For example, for Gd
# Gam_ch=3.817E+00
For HERFD, you can usually neglect the intermediate small state broadening and remove the deep hole broadening using the EXCHANGE card with a negative Vi up to 1/2 of Gam_ch:
*EXCHANGE ixc vr0 vi0 [ixc0]
* Remove most of core-hole broadening with negative Vi in the EXCHANGE card
EXCHANGE 0 0 -1.8
"
PF BEAM TIME BL15A
PF BEAM TIME
PF EXP.Plan has been submitted.
Plan is below
2021G584_ASAKURAHOKUDAI_AUTUMN2021.pdf2021/07/01 Dong san got award of the Chinese Scholarship.
2021/08/06 Daiki Kido is awarded a paper award from JSSVT
Dr. Daiki Kido が論文賞を受賞しました．
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受 賞 者：Daiki Kido, Yohei Uemura,† Yuki Wakisaka, Hiroko Ariga-Miwa, Satoru Takakuasgi, Kiyotaka Asakura,‡
論 文：Thorough Search Analysis of Extended X-ray Absorption Fine Structure Data for Complex Molecules and Nanomaterials Applications
掲載号・頁：e-J. Surf. Sci. Nanotech. Vol. 18 (2020) pp249-261
受 賞 者：Daiki Kido, Yohei Uemura,† Yuki Wakisaka, Hiroko Ariga-Miwa, Satoru Takakuasgi, Kiyotaka Asakura,‡
論 文：Thorough Search Analysis of Extended X-ray Absorption Fine Structure Data for Complex Molecules and Nanomaterials Applications
掲載号・頁：e-J. Surf. Sci. Nanotech. Vol. 18 (2020) pp249-261
Extended X-ray absorption fine structure (EXAFS) plays an important role in the surface science and nanotechnology to characterize the non-crystalline materials using the curve fitting (CF) analysis. However, the CF has problems such as correlation between the structural parameters, the dependence on initial parameters, and the limitation of degree of freedom when EXAFS is applied to the complex system. In this paper, we propose a thorough search (TS) method to solve these problems. We analyzed EXAFS data for molybdenum oxide (α-MoO3) using the TS method. MO3 possesses a well-defined but complex local structure in which a central molybdenum (Mo) atom is surrounded by six oxygen (O) atoms. In CF analysis, the correlations of these six Mo—O bonds make it very difficult to derive reliable structural parameters from EXAFS data. In the TS analysis, the structural parameters regarded as a point (𝒫) were surveyed thoroughly over a certain range. The goodness of fit was evaluated by R-factor. All 𝒫 with R-factors less than a certain value were accepted. The accepted points 𝒫 made a domain in which it was assumed that all points 𝒫 in the domain should occur with equal probability and consequently their averages were used as representative structural parameters. If multiple independent domains were obtained, they were all regarded as possible candidates and the TS analysis provided possible structural parameters. The feasibility and advantages of the TS method were compared with the CF analysis and the micro reverse Monte Carlo method.
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