Article ID Journal Published Year Pages File Type
5384814 Chemical Physics Letters 2010 6 Pages PDF
Abstract
►Reactivity of water molecule with the C-terminated SiC(0 0 1) surface was firstly studied. ►A relatively reliable theoretical methods ONIOM was used to study the reaction on a solid surface. ►Molecular physisorption, chemisorption and reaction channels associated with reaction energy and energy barriers were proposed.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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