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Published and Working Papers

Posted Jul 9, 2022 Updated Oct 19, 2024
By Pranab Sarker
6 min read

Refereed research papers

  1. Gandhi, Z., Lu, T., Guo, W., Crisci, R., Gao, J., Wilson, M. C., So, C. R., P. Sarker, Qin, X., T. Wei, & Chen, Z. (2024). Probing Molecular Interactions between Barnacle Peptides and Polymers In Situ to Understand Bioadhesion. Angew. Chem., under review.
  2. Qin, X., Chen, A., Fang, J., P. Sarker, Uline, M. J., & Wei, T. (2024). Hydration and Antibiofouling Behavior of Amphiphilic Polymer Brush Surfaces Functionalized with TMAO and Short Fluorocarbon: A Study with Atomistic Molecular Dynamics Simulations. Langmuir, accepted.
  3. Li, H., P. Sarker, Zhang, X., Terban, M. W., Ghose, S., Dursun, I., Cotlet, M., Li, M., Zhang, Y., Xu, Y., Ramakrishnan, S., Wei, T., Lu, D., & Yu, Q. (2024). Enhancing chiroptoelectronic activity in chiral 2D. Adv. Opt. Mater., accepted. https://doi.org/10.1002/adom.202401782
  4. C. A. Psarakis, T. T. Fidelis, K. B. Chin, B. Journaux, A. Kavner, P. Sarker, M. J. Styczinski, S. D. Vance, & Wei, T. (2024). Electrical Conductivity of Subsurface Ocean Analogue Solutions from Molecular Dynamics Simulations. ACS Earth Space Chem., accepted. https://doi.org/10.1021/acsearthspacechem.3c00345
  5. Wu, Y., Lin, T., Santos, E., Ahn, D., Marson, R., P. Sarker, Chen, X., Gubbels, F., Shephard, N. E., Mohler, C., Wei, T., Kuo, T.-C., & Chen, Z. (2024). Molecular Behavior of Silicone Adhesive at Buried Polymer Interface Studied by Molecular Dynamics Simulation and Sum Frequency Generation vibrational spectroscopy. Soft Matter, 20, 4765–4775. https://doi.org/10.1039/D4SM00407H
  6. Dursun, I., Terban, M., Xu, Y., Zhang, X., Ghose, S., Li, M., P. Sarker, Li, H., Cotlet, M., Wei, T., Lu, D., & Yu, Q. (2023). Temperature-dependent optical and structural properties of chiral two-dimensional hybrid lead-iodide perovskites. J. Phys. Chem. C, 127(31), 15423–15434. https://doi.org/10.1021/acs.jpcc.3c04296
  7. P. Sarker, Lu, T., Liu, D., Wu, G., Chen, H., Sajib, M. S. J., Jiang, S., Chen, Z., & Wei, T. (2023). Hydration Behaviors of Nonfouling Zwitterionic Materials (selected for the 2023 Chemical Science HOT Article Collection). Chem. Sci., 14, 7500–7511. https://doi.org/10.1039/D3SC01977B
  8. Chen, G. T., P. Sarker\(^\dagger \), Qiao, B., & Wei, T. (2023). Mesoscopic simulations of protein corona formation on zwitterionic peptide-grafted gold nanoparticles (\(^\dagger \) = corresponding author). J. Nanopart. Res., 25, 108. https://doi.org/10.1007/s11051-023-05761-y
  9. Yuan, Z., McMullen, P., Luozhong, S., P. Sarker, Tang, C., Wei, T., & Jiang, S. (2023). Hidden hydrophobicity impacts polymer immunogenicity. Chem. Sci., 14, 2033–2039. https://doi.org/10.1039/D2SC07047B
  10. P. Sarker, Chen, G., Sajib, M. S. J., Jones, N. W., & Wei, T. (2022). Hydration and Antibiofouling of TMAO-derived Zwitterionic Polymers Surfaces Studied with Atomistic Molecular Dynamics Simulations. Colloid. Surf. A-Physicochem. Eng. Asp., 653, 129943. https://doi.org/10.1016/j.colsurfa.2022.129943
  11. P. Sarker\(^\dagger\), & Huda, M. N. (2022). Determination of thermodynamic growth conditions for a high-efficiency Cu\(_2\)ZnSn(S\(_1-x\)Se\(_x\))\(_4\) (\(^\dagger \) = corresponding author). Comput. Mater. Sci., 208, (111313). https://doi.org/10.1016/j.commatsci.2022.111313
  12. P. Sarker\(^*\), Sajib\(^*\), M. S. J., Tao, X., & Wei, T. (2022). Multiscale Simulation of Protein Corona Formation on Silver Nanoparticles: Study of Ovispirin-1 Peptide Adsorption (* = contributed equally). J. Phys. Chem. B, 126, 601. https://doi.org/10.1021/acs.jpcb.1c08267
  13. Huang, H., Zhang, C., Crisci, R., Hung, H.-C., Lu, T., Hung, H.-C., Sajib, M. S. J., P. Sarker, Ma, J., Wei, T., Jiang, S., & Chen, Z. (2021). Strong Surface Hydration and Salt Resistance Mechanism of a New Zwitterionic Polymer Based on Protein Stabilizer TMAO. J. Am. Chem. Soc., 143(40), 16786. https://doi.org/10.1021/jacs.1c08280
  14. Sajib, M. S. J., P. Sarker, Wei, Y., Tao, X., & Wei, T. (2020). Protein corona on gold nanoparticles studied with hybrid coarse-grained and atomistic simulations. Langmuir, 36(44), 13356. https://doi.org/10.1021/acs.langmuir.0c02767
  15. Harrington, T. J., Gild, J., P. Sarker, Toher, C., Rost, C. M., Dippo, O. F., McElfresh, C., Kaufmann, K., Marin, E., Borowski, L., Hopkins, P. E., Luo, J., Curtarolo, S., Brenner, D. W., & Vecchio, K. S. (2019). Phase stability and mechanical properties of novel high entropy transition metal carbides. Acta Mater., 166, 271–280. https://doi.org/10.1016/j.actamat.2018.12.054
  16. P. Sarker\(^*\), Harrington\(^*\), T., Toher, C., Oses, C., Samiee, M., Maria, J.-P., Brenner, D. W., Vecchio, K. S., & Curtarolo, S. (2018). High-entropy high-hardness metal carbides discovered by entropy descriptors (* = contributed equally). Nat. Commun., 9(1), 4980. https://doi.org/10.1038/s41467-018-07160-7
  17. Zhu\(^*\), Z., P. Sarker\(^*\), Zhao, C., Zhou, L., Grimm, R. L., Huda, M. N., & Rao, P. M. (2017). Photoelectrochemical Properties and Behavior of \(α\)-SnWO\(_4\) Photoanodes Synthesized by Hydrothermal Conversion of WO\(_3\) Films (* = contributed equally). ACS Appl. Mater. Interfaces, 9, 1459. https://doi.org/10.1021/acsami.6b12640
  18. Rak, Z., Rost, C. M., Lim, M., P. Sarker, Toher, C., Curtarolo, S., Maria, J.-P., & Brenner, D. W. (2016). Charge compensation and electrostatic transferability in three entropy-stabilized oxides: Results from density functional theory calculations. J. Appl. Phys., 120, 095105. https://doi.org/10.1063/1.4962135
  19. Kormányos, A., Thomas, A., Huda, M. N., P. Sarker, Liu, J. P., Poudyal, N., Janáky, C., & Rajeshwar, K. (2016). Solution Combustion Synthesis, Characterization, and Photoelectrochemistry of CuNb\(_2\)O\(_6\) and ZnNb\(_2\)O\(_6\) Nanoparticles. J. Phys. Chem. C, 120, 16024. https://doi.org/10.1021/acs.jpcc.5b12738
  20. Sharma, G., Zhao, Z., P. Sarker, Nail, B. A., Wang, J., Huda, M. N., & Osterloh, F. E. (2016). Electronic structure, photovoltage, and photocatalytic hydrogen evolution with p-CuBi\(_2\)O\(_4\) nanocrystals. J. Mater. Chem. A, 4, 2936. https://doi.org/10.1039/C5TA07040F
  21. P. Sarker, & Huda, M. N. (2016). Understanding the thermodynamic pathways of SnO-to-SnO\(_x\) phase transition. Comput. Mater. Sci., 111, 359. https://doi.org/10.1016/j.commatsci.2015.09.041
  22. P. Sarker, Al-Jassim, M. M., & Huda, M. N. (2015). Predicting a quaternary tungsten oxide for sustainable photovoltaic application by density functional theory. Appl. Phys. Lett., 107, 233902. https://doi.org/10.1063/1.4936929
  23. Thomas, A., Janáky, C., Samu, G. F., Huda, M. N., P. Sarker, Liu, J. P., van Nguyen, V., Wang, E. H., Schug, K. A., & Rajeshwar, K. (2015). Time- and Energy-Efficient Solution Combustion Synthesis of Binary Metal Tungstate Nanoparticles with Enhanced Photocatalytic Activity. ChemSusChem, 8, 1652. https://doi.org/10.1002/cssc.201500383
  24. P. Sarker, Al-Jassim, M. M., & Huda, M. N. (2015). Theoretical limits on the stability of single-phase kesterite-Cu\(_2\)ZnSnS\(_4\). J. Appl. Phys., 117, 035702. https://doi.org/10.1063/1.4906065
  25. P. Sarker, Prasher, D., Gaillard, N., & Huda, M. N. (2013). Predicting a new photocatalyst and its electronic properties by density functional theory. J. Appl. Phys., 114, 133508. https://doi.org/10.1063/1.4821429
  26. Huda, M. N., Deutsch, T. G., P. Sarker, & Turner, J. A. (2013). Electronic structure study of N,O related defects in GaP for photoelectrochemical applications. J. Mater. Chem. A, 1, 8425. https://doi.org/10.1039/C3TA11475A
  27. de Tacconi, N. R., Timmaji, H. K., Chanmanee, W., Huda, M. N., Sarker, P., Janáky, C., & Rajeshwar, K. (2012). Photocatalytic Generation of Syngas Using Combustion-Synthesized Silver Bismuth Tungstate. ChemPhysChem, 13, 2945. https://doi.org/10.1002/cphc.201200046

Refereed conference proceedings

  1. Prasher, D., Chong, M., Chang, Y., Sarker, P., Huda, M. N., & Gaillard, N. (2013). Development of Metal Tungstate Alloys for Photoelectrochemical Water Splitting. Proc. SPIE, 8822, 8822. https://doi.org/10.1117/12.2026464

Unpublished working papers

  1. P. Sarker, Wei, T., Yu, Q., & Lu, D. (2024). Bond-bending and \(p\)-\(p\) transition enable chiroptical activities in two-dimensional chiral hybrid halide perovskites (in prep.).
  2. Qin, X., Fang, J., Gambarini, R., P. Sarker, Tang, C., Uline, M. J., & Wei, T. (2024). Antimicrobial Behavior of Facial Amphiphilic Materials Studied with Atomistic Molecular Dynamics Simulations (in prep.).
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