Design and development of supported catalysts due to computational physics and experiments for save and reuse of rare elements for catalyst

2014 Fiscal Year Final Research Report

• Project/Area Number: 23246013
• Research Category: Grant-in-Aid for Scientific Research (A)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: Thin film/Surface and interfacial physical properties
• Research Institution: Tottori University
• Principal Investigator: ISHII Akira 鳥取大学, 工学(系)研究科(研究院), 教授 (70183001)
• Co-Investigator(Kenkyū-buntansha): OKUMURA Kazu 工学院大学, 工学部応用化学科, 教授 (30294341) ; ARISAWA Mitsuhiro 大阪大学, 薬学研究科(研究院), 准教授 (40312962)
• Project Period (FY): 2011-04-01 – 2015-03-31
• Keywords: 環境対応 / 計算物理 / 合成化学 / 触媒・化学プロセス / 薬学

Outline of Final Research Achievements

In this project, we investigate using compupuational physics and experiments for Pd catalyst on zeolite and on sulfer-covered gold plate.
Pd K-edge extended XAFS analysis for USY zeolite reveals the presence of molecular-like PdO and a mixture of Pd/PdO before and after the reaction, respectively.Pd stabilized by Al sites is present at the II sites of the Y-type zeolite, as estimated using first-principles calculations. The structure of the Pd catalyst, named sulfur-modified gold-supported palladium (SAPd), has been determined to be composed of multi-layered Pd nanoparticles. NEXAFS analysis revealed that the organic matter containing sulfate and xylene as a major ingredient is distributed between Pd nanoparticles.The computational physics approach find the suitable sites on zeolite inner space for Pd catalyst. Moreover,we find the role of SO4 in the case of SAPd that SO4 on gold surface leave gold and adsorb on Pd nano particles. The same mechanism will occor for Ni, also.

Free Research Field

計算物理学