Theoretical study on new science by X-ray free-electron laser (XFEL)
| Project/Area Number |
24550034
|
|---|
| Research Category |
Grant-in-Aid for Scientific Research (C)
|
| Allocation Type | Multi-year Fund |
|---|
| Section | 一般 |
|---|
| Research Field |
Physical chemistry
|
|---|
| Research Institution | Tokyo Metropolitan University (2015)
The Institute of Physical and Chemical Research (2013-2014)
Waseda University (2012) |
|---|
Principal Investigator |
Imamura Yutaka 首都大学東京, 理工学研究科, 教授 (60454063)
|
|---|
| Project Period (FY) |
2012-04-01 – 2016-03-31
|
| Project Status |
Completed (Fiscal Year 2015)
|
| Budget Amount *help |
¥5,590,000 (Direct Cost: ¥4,300,000、Indirect Cost: ¥1,290,000)
Fiscal Year 2014: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2013: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2012: ¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000)
|
|---|
| Keywords | X線自由電子レーザー / 内殻励起 / 内殻イオン化 / 密度汎関数理論 / 多光子過程 |
|---|
| Outline of Final Research Achievements |
We theoretically explored potential of XFEL that enables us to investigate real-time observation of chemical reactions, single molecular structure analysis and novel physical properties. Information about core excitations and ionizations, which inevitably and uniquely occur for XFEL experiments, is important for future XFEL experiments. Therefore, density functional theory with orbital-specific exchange-correlation functionals was applied to core excitations and ionizations for small molecules. The density functional calculations assure that we are almost prepared to investigate different target such as dye-sensitizers used for solar cells. Based on theoretical calculations, we also proposed a new scheme to measure pulse width of XFEL using aniline.
|
Report
(5 results)
Research Products
(33 results)
-
-
-
-
-
-
-
-
-
-
-
-
-
-
[Presentation] 次世代有機太陽電池に関する理論的研究2015
Author(s)
今村穣, 松井亨, 神谷宗明, 菅野翔平, 尾坂格, 瀧宮和男, 中嶋隆人, 波田雅彦
Organizer
第9回分子科学討論会2015
Place of Presentation
東京工業大学・東京,
Year and Date
2015-09-18
Related Report
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
