University of Okara

About: University of Okara is a education organization based out in Okara, Pakistan. It is known for research contribution in the topics: Organic solar cell & Density functional theory. The organization has 270 authors who have published 496 publications receiving 2919 citations.

Designing Three-dimensional (3D) Non-Fullerene Small Molecule Acceptors with Efficient Photovoltaic Parameters

Abstract: Three dimensional (3D) acceptor‐donor‐acceptor (A−D‐A) type small molecules (M1, M2, M3 and M4) are theoretically investigated for optoelectronic properties. The designed molecules contain spirobif ...

Adsorption of Phosgene Gas on Pristine and Copper-Decorated B12N12 Nanocages: A Comparative DFT Study.

Abstract: Nanostructured gas sensors find diverse applications in environmental and agricultural monitoring. Herein, adsorption of phosgene (COCl2) on pure and copper-decorated B12N12 (Cu–BN) is analyzed thr...

Designing triazatruxene-based donor materials with promising photovoltaic parameters for organic solar cells

Abstract: To address the increasing demand of efficient photovoltaic compounds for modern hi-tech applications, efforts have been made herein to design and explore triazatruxene-based novel donor materials with greater efficiencies. Five new molecules, namely M1–M5, were designed by structural modification of acceptor moiety (rhodanine-3-acetic acid) of well known experimentally synthesized JY05 dye (reference R), and their optoelectronic properties are evaluated to be used as donor molecules in organic solar cells. In these molecules M1–M5, triazatruxene acts as a donor unit and benzene spaced different end-capped moieties including 2-(4-(dicyanomethylene)-2-thioxothiazolidin-3-yl)acetic acid (A1), (E)-2-(4-(1-cyano-2-methoxy-2-oxoethylidene)-2-thioxothiazolidin-3-yl)acetic acid (A2), (Z)-2-(3′-ethyl-4′-oxo-2,2′-dithioxo-3′,4′-dihydro-2′H,5H-[4,5′-bithiazolylidene]-3(2H)-yl)acetic acid (A3), (Z)-2-(4′-(dicyano-methylene)-3′-ethyl-2,2′-dithioxo-3′,4′-dihydro-2′H,5H-[4,5′-bithiazol-ylidene]-3(2H)-yl)acetic acid (A4) and 2-((4Z,4′E)-4′-(1-cyano-2-methoxy-2-oxoethylidene)-3′-ethyl-2,2′-dithioxo-3′,4′-dihydro-2′H,5H-[4,5′-bithiazolylidene]-3(2H)-yl)acetic acid (A5) respectively, as acceptor units. The electronic, photophysical and photovoltaic properties of the designed molecules M1–M5 have been compared with reference molecule R. All designed molecules exhibit reduced energy gap in the region of 1.464–2.008 eV as compared to reference molecule (2.509 eV). Frontier molecular orbital (FMO) surfaces confirm the transfer of charge from donor to acceptor units. All designed molecules M1–M5 exhibited an absorption spectrum in the visible region and they were broader as compared to that of reference R. Especially, M5 with highest λmax value 649.26 nm and lowest transition energy value 1.90 eV was accredited to the strong electron withdrawing end-capped acceptor moiety A5. The highest value of open circuit voltage (Voc) 1.02 eV with respect to HOMOdonor–LUMOBTP-4Cl was shown by M5 among all investigated molecules which was 0.15 V larger than reference molecule R. The designed molecule M5 is proven to be the best candidate for both electron and hole transport mobilities due to its smallest λe (0.0212 eV) and λh (0.0062 eV) values among all studied molecules.

Interrelations Between Ethical Leadership, Green Psychological Climate, and Organizational Environmental Citizenship Behavior: A Moderated Mediation Model.

Abstract: Synthesizing theories of ethical leadership, psychological climate, pro-environmental behavior, and gender, first, we proposed and tested a model linking supervisors’ ethical leadership and organizational environmental citizenship behavior via green psychological climate. Then we tested the moderating effect of gender on the indirect (via green psychological environment) relationship between supervisors’ ethical leadership and organizational environmental citizenship behavior. Time-lagged (three waves, two months apart) survey data were collected from 447 employees in various manufacturing and service sector firms operating in China. Data were analyzed using structural equation modeling, bootstrapping, and multi-group technique to test the hypothesized relationships. The results showed a positive relationship between employee ratings of supervisors’ ethical leadership and organizational environmental citizenship behavior. Moreover, green psychological climate mediates the relationship between supervisors’ ethical leadership and organizational environmental citizenship behavior. Importantly, the multi-group analysis revealed that gender moderates the indirect relationship (via green psychological climate) between supervisors’ ethical leadership and organizational environmental citizenship behavior. The study carries useful practical implications for policymakers and managers concerned about environmental sustainability.