Výsledky vyhledávání - "Abrar U. Hassan"

Akademický článek

Excited state dependent fast switching NLO behavior investigation of sp2 hybridized donor crystal as D-π-A push–pull switches

Autor: Cihat Güleryüz, Sajjad H. Sumrra, Abrar U. Hassan, Nyiang K. Nkungli, Muhammad S. Muhsan, Saad M. Alshehri

Publikováno v: Results in Chemistry, Vol 7, Iss , Pp 101382- (2024)

This research focused on the investigating electronic and optical properties of designed chromophores (TPTP1-TPTP5) to involve their comprehensive analysis, including geometry optimization, UV–Vis spectroscopy, analysis of the transition density ma

Externí odkaz: https://doaj.org/article/795250e398f14e9cb5e4893dc08b7d4b

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Akademický článek

Theoretical probing of 3d nano metallic clusters as next generation non-linear optical materials

Autor: Abrar U. Hassan, Sajjad H. Sumrra, Nyiang K. Nkungli, Cihat Güleryüz

Publikováno v: Results in Chemistry, Vol 4, Iss , Pp 100627- (2022)

The excess electron containing compounds have exceptional initial hyper polarizabilities (σ), making them promising nominees for next generation non-linear optical materials. We investigated the geometric, thermodynamic, electrical, and nonlinear op

Externí odkaz: https://doaj.org/article/2143da8af6754bfab6077ac3c41aa9ad

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Exploration of Pull–Push Effect for Novel Photovoltaic Dyes with A–π–D Design: A DFT/TD-DFT Investigation

Autor: Abrar U, Hassan, Sajjad H, Sumrra

Publikováno v: Journal of Fluorescence. 32:1999-2014

The π-rich versus π-poor units in 4,6-di(thiophen-2-yl)pyrimidine (DTB) alternating the π-backbone of solar cells dyes have been extended with a push-pull technique to lower their HOMO-LUMO energy gap and to increase Intramolecular Charge Transfer

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::639bf120a370dc4419bbb78a9a453cfc
https://doi.org/10.1007/s10895-022-03003-3

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Enriching the compositional tailoring of NLO responsive dyes with diversity oriented electron acceptors as visible light harvesters: a DFT/TD-DFT approach

Autor: Abrar U. Hassan, Sajjad H. Sumrra, Wardha Zafar, Muhammad Imran, Sadaf Noreen, Muhammad Irfan

Publikováno v: Molecular Physics. 121

The end-capped modelling of non-fullerene acceptor (NFA) units have been performed onto the structure of a dithiophene-based 6,6′-di(thiophen-2-yl)-4,4′-bipyrimidine (DTB) moiety to design nine new dyes (DTIT1–DTIT9). All the calculations were

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::84ad080caad72dd8c4347e5cadb3914f
https://doi.org/10.1080/00268976.2022.2148585

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A DFT Study on New Photovoltaic Dyes to Investigate their NLO Tuning at Near Infrared Region (NIR) as Pull-push Effect by End Capped Acceptors

Autor: Abrar U, Hassan, Sajjad H, Sumrra, Muhammad F, Nazar, Cihat, Güleryüz

Publikováno v: Journal of fluorescence.

Throughout the opto-electronic devices industry, organic materials with considerable nonlinear optical (NLO) capabilities are being used. By employing 4,6-di(thiophen-2-yl)pyrimidine as a standard molecule, a series for new dyes (DMBMB1-DMBMB6) are c

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::9d6059daead81df709010e0bdff0b951
https://pubmed.ncbi.nlm.nih.gov/36399248

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Structurally Modulated D-π-D- A(Semiconductor) Anchoring Dyes to Enhance the Tunable NLO Response: A DFT/TDDFT Quest For New Photovoltaic Materials

Autor: Abrar U. Hassan, Sajjad H. Sumrra, Muhammad Zubair, Ghulam Mustafa, Muhammad F. Nazar, Muhammad N. Zafar

In this paper, we show that dyes with anchoring groups and their stability for semiconductor TiO2 surfaces with silyl unit in dye-sensitized solar cells (DSSCs). To investigate the efficacy of DSSCs, Density Functional Theory (DFT) calculations were

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::eec7f09afd87cb9f3bb721677ada5742
https://doi.org/10.21203/rs.3.rs-1813028/v1

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