Superalkali-based alkalides Li3O@[12-crown-4] M (where M= Li, Na, and K) with remarkable static and dynamic NLO properties; A DFT study
Exploring new nonlinear optical materials with excess electron character is extremely
important for promoting the application of excess electron compounds in nonlinear optics …
important for promoting the application of excess electron compounds in nonlinear optics …
Demonstrating the Potential of Alkali Metal-Doped Cyclic C6O6Li6 Organometallics as Electrides and High-Performance NLO Materials
In this report, the geometric and electronic properties and static and dynamic
hyperpolarizabilities of alkali metal-doped C6O6Li6 organometallics are analyzed via …
hyperpolarizabilities of alkali metal-doped C6O6Li6 organometallics are analyzed via …
Superalkali (Li2F, Li3F) doped Al12N12 electrides with enhanced static, dynamic nonlinear optical responses and refractive indices
In the present work, superalkalis (Li 2 F and Li 3 F) doped Al 12 N 12 nanocages have been
designed and investigated theoretically to elucidate the correlations between geometric …
designed and investigated theoretically to elucidate the correlations between geometric …
Theoretical study on novel superalkali doped graphdiyne complexes: unique approach for the enhancement of electronic and nonlinear optical response
Based on DFT calculations, we have explored the changes in geometric, electronic and
nonlinear optical (NLO) properties of M 3 O and M 3 S (M= Li, Na and K) doped graphdiyne …
nonlinear optical (NLO) properties of M 3 O and M 3 S (M= Li, Na and K) doped graphdiyne …
First theoretical framework of superalkali metals [M3X (M= Li, Na, k; X= O, S, F, N)] doped all-boron B38 nanocluster: A promising class of nonlinear optical materials …
Develo** highly efficient nonlinear optical (NLO) materials is an area of frontier research.
For the first time, all-boron fullerene analogue B38 nanocluster is utilized for creating highly …
For the first time, all-boron fullerene analogue B38 nanocluster is utilized for creating highly …
Transition metals based metalides TM-Janus-TM (where TM= Sc–Zn and Janus= F6C6H6); A theoretical study of nonconventional metalides with excellent static and …
Continuous progress is being made to bring forward the novel strategies for designing
materials with excellent stability and exceptional nonlinear optical response. For the first …
materials with excellent stability and exceptional nonlinear optical response. For the first …
Remarkable electronic and NLO properties of bimetallic superalkali clusters: a DFT study
Excess electron compounds possess remarkable first hyperpolarizabilities (β o) which make
them potential candidates for next-generation nonlinear optical materials. Herein, we …
them potential candidates for next-generation nonlinear optical materials. Herein, we …
Nonlinear optical (NLO) response of boron phosphide nanosheet by alkali metals do**: A DFT study
M Rashid, J Yaqoob, N Khalil, R Jamil, MU Khan… - Materials Science in …, 2022 - Elsevier
Nonlinear optical (NLO) materials have earned popularity in the research community due to
their widespread uses. For the first time, boron phosphide (BP) nanosheets doped with alkali …
their widespread uses. For the first time, boron phosphide (BP) nanosheets doped with alkali …
Extremely large nonlinear optical response and excellent electronic stability of true alkaline earthides based on hexaammine complexant
A Ahsan, K Ayub - Journal of Molecular Liquids, 2020 - Elsevier
Geometric, electronic and nonlinear optical properties of a new class of excess electron
compounds (alkaline earthides) have been investigated. The rational design principle …
compounds (alkaline earthides) have been investigated. The rational design principle …
Face specific do** of Janus all-cis-1, 2, 3, 4, 5, 6-hexafluorocyclohexane with superalkalis and alkaline earth metals leads to enhanced static and dynamic NLO …
The first synthesis of all-cis-1, 2, 3, 4, 5, 6-hexafluorocyclohexane (C 6 H 6 F 6= 1), a facially
polarized molecule, opened up new avenues for designing novel nonlinear optical (NLO) …
polarized molecule, opened up new avenues for designing novel nonlinear optical (NLO) …