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A theoretical perspective on strategies for modeling high performance nonlinear optical materials
Nonlinear optical (NLO) materials have spanned a large area of science and technology
owning to their potential applications in optoelectronics. The invention of the first Ruby laser …
owning to their potential applications in optoelectronics. The invention of the first Ruby laser …
Zinc‐Doped Boron Phosphide Nanocluster as Efficient Sensor for SO2
Adsorption of SO2 on pure B12P12 and Zn‐doped B12P12 is investigated through density
functional theory methods. Zn adsorption on BP delivers four optimized geometries: B‐Top …
functional theory methods. Zn adsorption on BP delivers four optimized geometries: B‐Top …
Superalkalis as a source of diffuse excess electrons in newly designed inorganic electrides with remarkable nonlinear response and deep ultraviolet transparency: A …
Recently, significant progress is observed in the design and synthesis of nonlinear optical
materials due to their optoelectronic and biomedical applications. In this report, a series of …
materials due to their optoelectronic and biomedical applications. In this report, a series of …
Designing Novel Zn-Decorated Inorganic B12P12 Nanoclusters with Promising Electronic Properties: A Step Forward toward Efficient CO2 Sensing Materials
Gas sensing materials have been widely explored recently owing to their versatile
environmental and agriculture monitoring applications. The present study advocates the …
environmental and agriculture monitoring applications. The present study advocates the …
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 …
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 …
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 …
Theoretical study on a boron phosphide nanocage doped with superalkalis: novel electrides having significant nonlinear optical response
Three series of compounds Li2F@ B12P12, Li3O@ B12P12 and Li4N@ B12P12 are
theoretically designed and investigated for their nonlinear optical response using density …
theoretically designed and investigated for their nonlinear optical response using density …
Deciphering the role of alkali metals (Li, Na, K) do** for triggering nonlinear optical (NLO) properties of t-graphene quantum dots: toward the development of giant …
Nanoscale nonlinear optical (NLO) materials have received huge attention of the scientists
in current decades because of their enormous applications in optics, electronics, and …
in current decades because of their enormous applications in optics, electronics, and …
Do** superalkali on Zn12O12 nanocage constitutes a superior approach to fabricate stable and high-performance nonlinear optical materials
Fabrication of stable nonlinear optical materials is highly demanding due to their
widespread applications in optical and optoelectronic devices. Novel inorganic complexes …
widespread applications in optical and optoelectronic devices. Novel inorganic complexes …