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In-depth understanding of the morphology effect of α-Fe2O3 on catalytic ethane destruction

Jian, Yanfei, Yu, Tingting, Jiang, Zeyu, Yu, Yanke, Douthwaite, Mark, Liu, Jingyin, Albilali, Reem and He, Chi 2019. In-depth understanding of the morphology effect of α-Fe2O3 on catalytic ethane destruction. ACS Applied Materials and Interfaces 11 (12) , pp. 11369-11383. 10.1021/acsami.8b21521
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Abstract

Shape effects of nanocrystal catalysts in different reactions have attracted remarkable attention. In the present work, three types of α-Fe2O3 oxides with different micromorphologies were rationally synthesized via a facile solvothermal method and adopted in deep oxidation of ethane. The physicochemical properties of prepared materials were characterized by XRD, N2 sorption, FE-SEM, HR-TEM, FTIR, in situ DRIFTS, XPS, Mössbauer spectroscopy, in situ Raman, electron energy loss spectroscopy, and H2-TPR. Moreover, the formation energy of oxygen vacancy and surface electronic structure on various crystal faces of α-Fe2O3 were explored by DFT calculations. It is shown that nanosphere-like α-Fe2O3 exhibits much higher ethane destruction activity and reaction stability than nanocube-like α-Fe2O3 and nanorod-like α-Fe2O3 due to larger amounts of oxygen vacancies and lattice defects, which greatly enhance the concentration of reactive oxygen species, oxygen transfer speed, and material redox property. In addition to this, DFT results reveal that nanosphere-like α-Fe2O3 has the lowest formation energy of oxygen vacancy on the (110) facet (Evo (110) = 1.97 eV) and the strongest adsorption energy for ethane (−0.26 eV) and O2 (−1.58 eV), which can accelerate the ethane oxidation process. This study has deepened the understanding of the face-dependent activities of α-Fe2O3 in alkane destruction.

Item Type: Article
Date Type: Publication
Status: Published
Schools: Chemistry
Cardiff Catalysis Institute (CCI)
Publisher: American Chemical Society
ISSN: 1944-8244
Date of First Compliant Deposit: 9 May 2019
Date of Acceptance: 4 March 2019
Last Modified: 02 Jul 2019 19:05
URI: http://orca-mwe.cf.ac.uk/id/eprint/122305

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