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Significant Publications

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  • Mobility driven thermoelectric and optical properties of two-dimensional halide-based hybrid perovskites: impact of organic cation rotation

       H. L. Kagdada, S. K Gupta, S. Sahoo and Dheeraj K. Singh

       Physical Chemistry Chemical Physics, 24, 8867-8880, (2022). DOI: 10.1039/D1CP05724C

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  • Enhancement of SERS effect in Graphene-Silver hybrids

       V. Kaushik, H. L. Kagdada, Dheeraj K. Singh, S. Pathak

       Applied Surface Science, 574, 151724, (2022). DOI: 10.1016/j.apsusc.2021.151724

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  • An ionic hydrogel with stimuli-responsive, self-healable and injectable characteristics for the targeted and sustained delivery of doxorubicin in the treatment of breast cancer

       M. Kuddushi, D. K Pandey, Dheeraj K Singh, J. Mata, N. Malek

       Materials Advances, 3, 632-646 (2022). DOI:10.1039/D1MA00835H 

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  • Hybrid Structure of Ionic Liquid and TiO2 Nanoclusters for Efficient Hydrogen Evolution Reaction

       D. K. Pandey, H. L. Kagdada, A Materny and Dheeraj K Singh

       Journal of Physical Chemistry A, 125, 2653-2665, (2021). DOI: https://doi.org/10.1021/acs.jpca.0c10912

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  • Rashba Splitting in Two Dimensional Hybrid Perovskite Materials for High Efficient Solar and Heat Energy Harvesting

       H. L. Kagdada, S. K Gupta, S. Sahoo and Dheeraj K. Singh

       Journal of Physical Chemistry Letters, 11, 7679-7686, (2020). DOI:10.1021/acs.jpclett.0c01858

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  • Hybrid structure of ionic liquid and ZnO nano clusters for potential application in dye-sensitized solar cells 

       D. K. Pandey, H. L. Kagdada, A Materny and Dheeraj K Singh

       Journal of Molecular Liquids, (2020). DOI: 10.1016/j.molliq.2020.114538

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  • Molecular structure and interactions in the ionic liquid 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate

       Dheeraj K. Singh, B. Rathke, J. Kiefer and A. Materny

       Journal of Physical Chemistry A, 120, 6274-6286, (2016). DOI: 10.1021/acs.jpca.6b03849

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  • Interplay of Different Moieties in the Binary System 1-Ethyl-3-methylimidazolium Trifluoromethanesulfonate/Water Studied by Raman Spectroscopy and Density Functional Theory Calculations

       Dheeraj K Singh, P. Donfack, B. Rathke, J. Kiefer and A. Materny

       Journal of Physical Chemistry B, 123, 4004-4016, (2019).DOI: 10.1021/acs.jpcb.9b00066

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  • Impact of size and electronegativity of halide anions on hydrogen bonds and properties of 1-Ethyl-3-methylimidazolium-based ionic liquids

       P. Sanchora, D. K. Pandey, D. Rana, A. Materny and Dheeraj K. Singh

       Journal of Physical Chemistry A, 123, 4948-4963, (2019).DOI: 10.1021/acs.jpca.9b04116

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  • Impact of water on the hydrogen bonding between halide‐based ion‐pairs investigated by Raman scattering and density functional theory calculations

        D. K. Pandey, P. Sanchora, D. Rana, P Donfack, A Materny and Dheeraj K Singh

        Journal of Raman Spectroscopy, 51, 147-164, (2020). DOI: 10.1002/jrs.5755

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  • Study of the nucleation and growth of antibiotic labeled Au NPs and blue luminescent Au8 quantum clusters for Hg2+ ion sensing, cellular imaging and antibacterial applications

       P. Khandelwal, Dheeraj K Singh, S. Sadhu and P. Poddar

       Nanoscale, 7, 19985-20002, (2015). DOI : 10.1039/C5NR05619E

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  • In situ synthesis and surface functionalization of gold nanoparticles with curcumin and their antioxidant properties: an experimental and density functional theoretical investigation

       Dheeraj K. Singh, R. Jagannathan, P. Khandelwal, P. Abraham and P. Poddar

        Nanoscale, 5 , 1882, (2013). DOI: 10.1039/C2NR33776B

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  • Advances in the experimental and theoretical understanding of antibiotic conjugated gold nanoparticles for antibacterial applications

       P. Khandelwal, Dheeraj K. Singh and P. Poddar

       Chemistry Select, 4, 6719-6738, (2019). DOI: 10.1002/slct.201900083

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  • Bi-Axial Growth Mode of Au–TTF Nanowires Induced by Tilted Molecular Column Stacking

       Y. Xing, E. Speiser, Dheeraj K. Singh, P. S. Dittrich and N. Esser

        Journal of Physical Chemistry C, 121, 23200-23206, (2017). DOI : 10.1021/acs.jpcc.7b05924

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  • Pressure-induced first order phase transition in bulk GeSe

       H. L. Kagdada, P. K. Jha, P. Śpiewak, K. J. Kurzydłowski and Dheeraj K. Singh

       Journal of Applied Physics 127, 175104, (2020). DOI: 10.1063/1.5139952.

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  • Detection of mycotoxin Citrinine using silver substrates and Raman spectroscopy

       Dheeraj K. Singh, E. Ganbold, C.M. Lee, S.K. Yang and S.W. Joo

       Journal of Hazardous Material, 265 89– 95, (2014). DOI : 10.1016/j.jhazmat.2013.11.041

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  • Hydrogen bonding in different pyrimidine/methanol clusters probed by polarized Raman spectroscopy and DFT calculations

       Dheeraj K. Singh, S. Mishra, A.K. Ojha, S.K. Srivastava, S. Schlücker, B.P. Asthana, J. Popp and R.K. Singh

       Journal of Raman Spectroscopy 42 , 667–675, (2011). DOI: 10.1002/jrs.2744

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