Nonlinear optical properties of aluminum nitride nanotubes doped by excess electron: a first principle study
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-018-3750-4
Abstract: Aluminum nitride nanotubes (AlNNTs) doped by the excess electron, e@AlNNT and M@N-AlNNT (M = Li, Na, K), have been designed and their geometrical, electronic, and nonlinear optical (NLO) properties have been explored theoretically. The results showed that… read more here.
Keywords: aluminum nitride; excess electron; doped excess; nitride nanotubes ... See more keywords
Can Coinage Metal Atoms Be Capable of Serving as an Excess Electron Source of Alkalides with Considerable Nonlinear Optical Responses?
Sign Up to like & getrecommendations! Published in 2017 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.7b00183
Abstract: Alkalides, as a representative kind of excess electron compounds, have been demonstrated to be potential nonlinear optical (NLO) materials with large static first hyperpolarizabilities (β0). The possibility of utilizing coinage metal atoms as a novel… read more here.
Keywords: coinage metal; excess electron; metal atoms; electron ... See more keywords
Effects of the Cage Number and Excess Electron Number on the Second Order Nonlinear Optical Response in Molecular All-Metal Electride Multicage Chains
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.7b06464
Abstract: For novel all-metal electride, multicage chain structures [(Ni@Ge9) Ca3]n (n = 1–4) with all real frequencies are obtained theoretically for the first time. In the structure of n = 1, the Ni@Ge9 metal cage as… read more here.
Keywords: electride multicage; metal electride; multicage; metal ... See more keywords
Designing Excess Electron Compounds by Substituting Alkali Metals to a Small and Versatile Tetracyclic Framework: A Theoretical Perspective
Sign Up to like & getrecommendations! Published in 2023 at "ACS Omega"
DOI: 10.1021/acsomega.2c07743
Abstract: Organic compound-based nonlinear optical (NLO) materials have sparked a lot of attention due to their multitude of applications and shorter optical response times than those of inorganic NLO materials. In the present investigation, we designed… read more here.
Keywords: nonlinear optical; optical response; excess electron; designing excess ... See more keywords