Electronic-Structure Simulation Study on Molecular Structure andProperties of Graphitic Carbon Nitride
Project/Area Number |
22550019
|
Research Category |
Grant-in-Aid for Scientific Research (C)
|
Allocation Type | Single-year Grants |
Section | 一般 |
Research Field |
Physical chemistry
|
Research Institution | Kumamoto University |
Principal Investigator |
SUGIMOTO Manabu 熊本大学, 大学院・自然科学研究科, 准教授 (80284735)
|
Project Period (FY) |
2010 – 2012
|
Project Status |
Completed (Fiscal Year 2012)
|
Budget Amount *help |
¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000)
Fiscal Year 2012: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2011: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2010: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
|
Keywords | 理論化学 / 電子状態 / 構造化学 / 光触媒 / 窒化炭素 / 反応機構 / 計算化学 / グラファイト型窒化炭素 / 量子化学 / 水分解反応 / 水素発生 / 光化学 / 反応機構解析 |
Research Abstract |
Graphitic carbon nitride (g-CN) mainly made of carbon and nitrogen was synthesized inthe 19-th century , but little is know about this compound. Since the beginning of the 21stcentury , it has been revealed that g-CN works as a metal-free catalyst and showsphotoconductivity by element doping. These observations suggest that g-CN has a potentialas an electronic material. In this work, we carried out computer simulation studies onelectronic structures of g-CN in order to reveal molecular structure of g-CN and itsinteresting reactivity and electronic properties.
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Report
(4 results)
Research Products
(21 results)