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Theoretically designed M@diaza[2.2.2]cryptand complexes: the role of non-covalent interactions in promoting NLO properties of organic electrides

Description/Abstract:

Organic excess electron compounds with significant nonlinear optical (NLO) properties are widely employed in optoelectronic applications....

Keyword:

DFT, Electrides, Excess electrons, Molecular dynamics, and Optoelectronic

Resource Type:

Article

Author:

Atazaz Ahsin, Aamna Qamar, Qing Lu, and Wensheng Bian

Journal:

Science and Technology of Advanced Materials

Date Uploaded:

03/06/2024