Trends of Water Gas Shift Reaction on Transition Metal Surfaces from First Principles calculation

碩士 === 國立臺灣師範大學 === 化學系 === 98 === The mechanism of water gas shift reaction (WGSR) on the close-packed transition metal surfaces of Co, Ni Cu (from the 3d row) Rh, Pd, Ag (from the 4d row) and Ir, Pt, Au (from the 5d row) has been systematically examined by periodic density functional theory (DFT)...

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Bibliographic Details
Main Authors: Huang Shih-Chang, 黃世昌
Other Authors: Wang Jeng-han
Format: Others
Language:zh-TW
Published: 2010
Online Access:http://ndltd.ncl.edu.tw/handle/94731086812772503650