Theoretical study of surface dependence of NH3 adsorption and decomposition on spinel-type MgAl2O4-Reference-Cited by-同舟云学术

Theoretical study of surface dependence of NH3 adsorption and decomposition on spinel-type MgAl2O4

Published:2015 Issue:95 Volume:5 Page:77973-77985
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Wang Huan¹²³⁴,Jia Chuanyi⁵²³⁴,Yang Jing¹²³⁴,Zhao Xian⁵²³⁴,Li Yanlu⁵²³⁴,Sun Honggang⁶²³⁴,Fan Weiliu¹²³⁴

Affiliation:

1. School of Chemistry and Chemical Engineering

2. Shandong University

3. Jinan 250100

4. China

5. State Key Laboratory of Crystal Materials

6. School of Environmental Science and Engineering

Abstract

The effects of the surface reconstruction and oxygen defects on the NH₃ adsorption and dissociation on MgAl₂O₄ (100), (110), and (111) surfaces were studied based on density functional theory (DFT) slab calculations.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2015/RA/C5RA07818K

Reference40 articles.

1. Quantitative investigation of catalytic natural gas conversion for hydrogen fuel cell applications

2. Ruthenium catalysts for ammonia synthesis at high pressures: Preparation, characterization, and power-law kinetics

3. A Priori Catalytic Activity Correlations: The Difficult Case of Hydrogen Production from Ammonia

4. Comparison of ammonia and methanol applied indirectly in a hydrogen fuel cell

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