Multiresolution molecular mechanics: Surface effects in nanoscale materials
نویسندگان
چکیده
منابع مشابه
Surface Chemistry in Nanoscale Materials
Although surfaces or, more precisely, the surface atomic and electronic structure, determine the way materials interact with their environment, the influence of surface chemistry on the bulk of the material is generally considered to be small. However, in the case of high surface area materials such as nanoporous solids, surface properties can start to dominate the overall material behavior. Th...
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ژورنال
عنوان ژورنال: Journal of Computational Physics
سال: 2017
ISSN: 0021-9991
DOI: 10.1016/j.jcp.2017.01.058