13 research outputs found
DFT investigation on molecular structures of metal and nonmetal-doped ZnO sodalite-like cage and their electronic properties
No full textDensity functional study on the adsorption of some aliphatic aldehydes on (ZnO)12 and M-doped (ZnO)12 nanocages
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Theoretical study on the adsorption ability of (ZnO)6 cluster for dimethylmercury removal and the influences of the supports and other ions in the adsorption process
No full textA computational study on the potential application of yne-BN monolayer for selective detection of NO and CO gases
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