Alhokbany N - Search Results

1

Unveiling next-generation organic photovoltaics: Quantum mechanical insights into non-fullerene donor-acceptor compounds.

Shafiq Z, Akram N, Zia KM, Jamil S, Li S, Alhokbany N, Janjua MRSA. Shafiq Z, et al. Among authors: alhokbany n. Spectrochim Acta A Mol Biomol Spectrosc. 2025 Jan 10;330:125741. doi: 10.1016/j.saa.2025.125741. Online ahead of print. Spectrochim Acta A Mol Biomol Spectrosc. 2025. PMID: 39824016

2

Theoretical investigation of benzodithiophene-based donor molecules in organic solar cells: from structural optimization to performance metrics.

Kazim Abbas Naqvi SM, Abbas F, Bibi S, Shehzad MK, Alhokbany N, Zhu Y, Long H, Vasiliev RB, Nazir Z, Chang S. Kazim Abbas Naqvi SM, et al. Among authors: alhokbany n. RSC Adv. 2024 Sep 20;14(41):29942-29954. doi: 10.1039/d4ra04818k. eCollection 2024 Sep 18. RSC Adv. 2024. PMID: 39309649 Free PMC article.

3

Synergistic charge-transfer dynamics of novel D-D-A-π-A framework containing indoline-benzo[d][1,2,3]thiadiazole based push-pull sensitizers: from structural engineering to performance metrics in photovoltaic solar cells.

Rabbani Z, Khan MU, Anwar A, Hassan AU, Alhokbany N. Rabbani Z, et al. Among authors: alhokbany n. J Mol Model. 2024 Sep 17;30(10):338. doi: 10.1007/s00894-024-06140-7. J Mol Model. 2024. PMID: 39287837

4

Photocatalytic degradation of indigo carmine dye by hydrothermally synthesized graphene nanodots (GNDs): investigation of kinetics and thermodynamics.

Jamil S, Afzal R, Khan SR, Shabbir M, Alhokbany N, Li S, Saeed Ashraf Janjua MR. Jamil S, et al. Among authors: alhokbany n. RSC Adv. 2024 Jul 31;14(33):23973-23986. doi: 10.1039/d4ra02476a. eCollection 2024 Jul 26. RSC Adv. 2024. PMID: 39086519 Free PMC article.

5

Remarkable enhancement of the nonlinear optical behavior towards asymmetric substituted D-π-A dithiophene-based compounds.

Haq S, Tariq A, Naz S, Abid S, Akhtar MN, Bullo S, Alhokbany N, Ahmed S. Haq S, et al. Among authors: alhokbany n. J Mol Model. 2024 Jul 27;30(8):287. doi: 10.1007/s00894-024-06081-1. J Mol Model. 2024. PMID: 39066914

6

Influence of benzothiophene acceptor moieties on the non-linear optical properties of pyreno-based chromophores: first-principles DFT framework.

Shafiq I, Haq S, Javed T, Bullo S, Ahmed S, Alhokbany N, Ahamad T. Shafiq I, et al. Among authors: alhokbany n. RSC Adv. 2024 May 17;14(23):15964-15978. doi: 10.1039/d4ra00903g. eCollection 2024 May 15. RSC Adv. 2024. PMID: 38765473 Free PMC article.

7

Realizing the effect of s-block metals on a charge transfer crystal of indol-2-one for enhanced NLO responses with efficient energetic offsets.

Hassan AU, Sumrra SH, Mohyuddin A, Nkungli NK, Alhokbany N. Hassan AU, et al. Among authors: alhokbany n. J Mol Model. 2024 Apr 6;30(5):126. doi: 10.1007/s00894-024-05923-2. J Mol Model. 2024. PMID: 38581440

8

Exploration of nonlinear optical properties of 4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-phenylpropanamide based derivatives: experimental and DFT approach.

Irfan M, Khan HA, Bibi S, Wu G, Ali A, Khan SG, Alhokbany N, Rasool F, Chen K. Irfan M, et al. Among authors: alhokbany n. Sci Rep. 2024 Feb 1;14(1):2732. doi: 10.1038/s41598-024-51788-z. Sci Rep. 2024. PMID: 38302494 Free PMC article.

9

Heterocyclic Donor Moiety Effect on Optical Nonlinearity Behavior of Chrysene-Based Chromophores with Push-Pull Configuration via the Quantum Chemical Approach.

Rasool F, Wu G, Shafiq I, Kousar S, Abid S, Alhokbany N, Chen K. Rasool F, et al. Among authors: alhokbany n. ACS Omega. 2024 Jan 8;9(3):3596-3608. doi: 10.1021/acsomega.3c07596. eCollection 2024 Jan 23. ACS Omega. 2024. PMID: 38284097 Free PMC article.

10

Adsorption of molecular hydrogen on Be₃Al₂(SiO₃)₆-beryl: theoretical insights for catalysis, hydrogen storage, gas separation, sensing, and environmental applications.

Gill WA, Alhokbany N, Janjua MRSA. Gill WA, et al. Among authors: alhokbany n. RSC Adv. 2024 Jan 25;14(6):3782-3789. doi: 10.1039/d3ra07480c. eCollection 2024 Jan 23. RSC Adv. 2024. PMID: 38274172 Free PMC article.

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