Embedded Cluster Model for Al2O3 and AlPO4 Surfaces Using Point Charges and Periodic Electrostatic Potential
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DOI: 10.1021/acs.jpcc.7b04126
Abstract: An embedded cluster model with either a large number of point charges (PCs) or periodic electrostatic (PE) potential was proposed to incorporate the electrostatic effects by the bulk surface and applied to non-transition-metal oxide supports… read more here.
Keywords: al2o3 alpo4; cluster model; model; potential ... See more keywords