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Author

Zubia Sajid

University of Agriculture, Faisalabad
Bio: Zubia Sajid is an academic researcher from University of Agriculture, Faisalabad. The author has contributed to research in topics: Molecular orbital & HOMO/LUMO. The author has an hindex of 1, co-authored 1 publications receiving 15 citations.
Topics: Molecular orbital, HOMO/LUMO, Band gap, Organic solar cell
Papers
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Journal Article•DOI•
Designing of benzodithiophene acridine based Donor materials with favorable photovoltaic parameters for efficient organic solar cell

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Qurat ul Ain1, Rao Aqil Shehzad1, Umer Yaqoob1, Arooba Sharif1, Zubia Sajid1, Sidra Rafiq1, Saleem Iqbal2, Muhammad Khalid, Javed Iqbal1 •
University of Agriculture, Faisalabad1, University of Wah2
01 Jun 2021-Computational and Theoretical Chemistry
TL;DR: In this paper, four π-conjugated donor compounds, namely DR3TBDTC-M1, DR3tBDTCM-M2 and DR3TC-MC-M3, were formulated and studied to enhance the charge transfer properties in organic materials.

54 citations

Cited by
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Journal Article•DOI•
Quantum Chemical Approach of Donor−π–Acceptor Based Arylborane–Arylamine Macrocycles with Outstanding Photovoltaic Properties Toward High-Performance Organic Solar Cells

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Saba Zahid, Alvina Rasool, Muhammad Ans, Muhammad Yaseen, Javed Iqbal 
16 Sep 2021-Energy & Fuels

52 citations

Journal Article•DOI•
Designing of benzodithiophene (BDT) based non-fullerene small molecules with favorable optoelectronic properties for proficient organic solar cells

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Alvina Rasool1, Saba Zahid1, Rao Aqil Shehzad1, Muhammed Salim Akhter2, Javed Iqbal1 •
University of Agriculture, Faisalabad1, University of Bahrain2
01 Sep 2021-Computational and Theoretical Chemistry
TL;DR: In this paper, five new donor molecules were designed by structural tailoring of the already experimentally synthesized POBDT-4Cl, namely BDTM1, BDTM2, BDM3, BDMM4, BDMT5, and BDTM6.

44 citations

Journal Article•DOI•
End-capped modification of dithienosilole based small donor molecules for high performance organic solar cells using DFT approach

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Huan Yu1•
University of Nebraska Omaha1
01 Jan 2022-Journal of Molecular Liquids
TL;DR: In this paper , a detailed theoretical consideration under DFT and TD-DFT methods was given to explore wavelength dependent (absorption maxima, first excitation energy, light harvesting efficiency), electronic (FMO, DOS, TDM), reactivity (IP, EA, MEP), and charge transfer parameters (Voc, FF) of selected molecules (SM1-SM4) in systematic way.

38 citations

Journal Article•DOI•
End-capped Modification of Dithienosilole Based Small Donor Molecules for High Performance Organic Solar Cells Using DFT Approach

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Mahira Rafiq1, Huan Yu2, Maham Salim1, Safia Noreen1, Rasheed Ahmad Khera1, Sadia Noor, Umer Yaqoob1, Javed Iqbal1 •
University of Agriculture, Faisalabad1, University of Nebraska Omaha2
02 Dec 2021-Journal of Molecular Liquids
TL;DR: In this article, a detailed theoretical consideration under DFT and TD-DFT methods was given to explore wavelength dependent (absorption maxima, first excitation energy, light harvesting efficiency), electronic (FMO, DOS, TDM), reactivity (IP, EA, MEP), and charge transfer parameters (Voc, FF) of selected molecules (SM1-SM4) in systematic way.

38 citations

Journal Article•DOI•
Synergistic engineering of end-capped acceptor and bridge on arylborane-arylamine macrocycles to boost the photovoltaic properties of organic solar cells

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Alvina Rasool, Saba Zahid, Muhammad Ans, Javed Iqbal, Muhammad Adnan, El-Sayed M. Sherif, M.S. Al-Buriahi 
01 Jan 2022-Optical Materials
TL;DR: A new stream of donor π-acceptor (D- π -A) type arylborane-arylamine based donor contributors namely (BN1, BN2, BNs3, Bns4, Bn5) have been drafted by substituting the terminal 2,4,6-tris-(trifluoromethyl)phenyl) groups of reference B4N2-FMes (designated as BNR in the current study) with thiophene followed by W1 (4-(5-methylthiophen-2-yl)benzothiadiazole), W2 (2-(3-methyl-5,methylene-4-oxothiazolidin-2ylidene)malononitrile), W3 (2-methylenemalononitriles), W4 (2.

36 citations