Article ID Journal Published Year Pages File Type
5384851 Chemical Physics Letters 2011 6 Pages PDF
Abstract
► H2O either adsorbs or dissociates on ZnO nanoclusters. ► This depends on the stability of the clusters and the direction of approach. ► The band gap and excitation energies do not change significantly as a result of H2O adsorption. ► New IR frequency bands appear in the spectrum due to H2O adsorption.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Investigating the adsorption of H2O on ZnO nanoclusters by first principle calculations
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