K.  Selvaraj and Kurian, R., ?Dependence of Si-29 NMR chemical shielding properties of precursor silicate species, Q(0) on its local structure at the pre-nucleation stages of zeolite synthesis - a DFT based computational correlation?, Microporous and Mesoporous Materials, vol. 122, no. 1-3, pp. 105-113, 2009.

K.  Pradhan, Selvaraj, K., and Nanda, A. K., ?Convenient approach to the synthesis of different types of schiff's bases and their metal complexes?, Chemistry Letters, vol. 39, no. 10, pp. 1078-1079, 2010.

K.  Selvaraj, ?Transformation of chemically fine tuned zeolite A precursor into dense lithium aluminosilicates - a comprehensive phase evolution and sintering study?, Microporous and Mesoporous Materials, vol. 135, no. 1-3, pp. 82-89, 2010.

K. Suranjit Prasad, Pathak, D., Patel, A., Dalwadi, P., Prasad, R., Patel, P., and Selvaraj, K., ?Biogenic synthesis of silver nanoparticles using nicotiana tobaccum leaf extract and study of their antibacterial effect?, African Journal of Biotechnology, vol. 10, no. 41, pp. 8122-8130, 2011.

K. Suranjit Prasad, Patel, H., Patel, T., Patel, K., and Selvaraj, K., ?Biosynthesis of Se nanoparticles and its effect on UV-induced DNA damage?, Colloids and Surfaces B-Biointerfaces, vol. 103, pp. 261-266, 2013.

R.  Anumula, Nookaraju, M., Selvaraj, K., Reddy, I. Ajit Kumar, and Narayanan, V., ?Novel vanadium n-propylamino phosphate catalyst: synthesis, characterization and applications?, Materials Research-Ibero-American Journal of Materials, vol. 16, no. 1, pp. 181-189, 2013.

K. Suranjit Prasad and Selvaraj, K., ?Biogenic synthesis of selenium nanoparticles and their effect on as(III)-induced toxicity on human lymphocytes?, Biological Trace Element Research, vol. 157, no. 3, pp. 275-283, 2014.

K. Suranjit Prasad, Amin, Y., and Selvaraj, K., ?Defluoridation using biomimetically synthesized nano zirconium chitosan composite: kinetic and equilibrium studies?, Journal of Hazardous Materials, vol. 276, pp. 232-240, 2014.

K. Suranjit Prasad, Gandhi, P., and Selvaraj, K., ?Synthesis of green nano iron particles (GnIP) and their application in adsorptive removal of As(III) and As(V) from aqueous solution?, Applied Surface Science, vol. 317, pp. 1052-1059, 2014.

K. Suranjit Prasad, Prajapati, S., and Selvaraj, K., ?Efficient sorption and photocatalytic degradation of malachite green dye onto NiS nanoparticles prepared using novel green approach?, Korean Journal of Chemical Engineering, vol. 32, no. 10, pp. 1986-1992, 2015.

K. Suranjit Prasad, Vaghasiya, J. V., Soni, S. S., Patel, J., Patel, R., Kumari, M., Jasmani, F., and Selvaraj, K., ?Microbial selenium nanoparticles (SeNPs) and their application as a sensitive hydrogen peroxide biosensor?, Applied Biochemistry and Biotechnology, vol. 177, no. 6, pp. 1386-1393, 2015.

S. Kumari Jhajharia and Selvaraj, K., ?Non-templated ambient nanoperforation of graphene: a novel scalable process and its exploitation for energy and environmental applications?, Nanoscale, vol. 7, no. 46, pp. 19705-19713, 2015.

R.  Prasad, Aiyer, S., Chauhan, D. S., Srivastava, R., and Selvaraj, K., ?Bioresponsive carbon nano-gated multifunctional mesoporous silica for cancer theranostics?, Nanoscale, vol. 8, no. 8, pp. 4537-4546, 2016.

K.  Joshi, Krishnamurty, S., Singh, I., and Selvaraj, K., ?DFT based assay for tailor-made terpyridine ligand-metal complexation properties?, Molecular Simulations, vol. 42, no. 8, pp. 618-627, 2016.

D.  Bhuyan, Selvaraj, K., and Saikia, L., ?PD@SBA-15 Nanocomposite catalyst: synthesis and efficient solvent-free semihydrogenation of phenylacetylene under mild conditions?, Microporous and Mesoporous Materials, vol. 241, pp. 266-273, 2017.

P.  Rani, Jhajharia, S. Kumari, and Selvaraj, K., ?Redox-mediated 3D graphene based nanoscoop design for ultracapacitor applications?, New Journal of Chemistry, vol. 41, no. 16, pp. 8390-8398, 2017.

K. S.  Prasad, Amin, T., Katuva, S., Kumari, M., and Selvaraj, K., ?Synthesis of water soluble CdS nanoparticles and study of their DNA damage activity?, Arabian Journal of Chemistry, vol. 10, no. 2, pp. 3929-S3935, 2017.

D. S.  Chauhan, Prasad, R., Devrukhkar, J., Selvaraj, K., and Srivastava, R., ?Disintegrable NIR light triggered gold nanorods supported liposomal nanohybrids for cancer theranostics?, Bioconjugate Chemistry, vol. 29, no. 5, pp. 1510-1518, 2018.

R.  Prasad, Agawane, S. B., Chauhan, D. S., Srivastava, R., and Selvaraj, K., ?In vivo examination of folic acid-conjugated gold-silica nanohybrids as contrast agents for localized tumor diagnosis and biodistribution?, Bioconjugate Chemistry, vol.  29, no. 12, pp. 4012-4019, 2018.

A.  Maibam, Govindaraja, T., Selvaraj, K., and Krishnamurty, S., ?Dinitrogen activation on graphene anchored single atom catalysts: local site activity or surface phenomena?, Journal of Physical Chemistry C, vol. 123, no. 45, pp. 27492-27500, 2019.

S. Kumari Jhajharia, Manappadan, Z., and Selvaraj, K., ?Exploring battery-type ZnO/ZnFe2O4 spheres-3D graphene electrodes for supercapacitor applications: advantage of yolk-shell over solid structures?, ChemElectroChem , 2019.

R.  Prasad, Yadav, A. S., Gorain, M., Chauhan, D. S., Kundu, G. C., Srivastava, R., and Selvaraj, K., ?Graphene oxide supported liposomes as red emissive theranostics for phototriggered tissue visualization and tumor regression?, ACS Applied Bio Materials, vol. 2, no. 8, pp. 3312?3320, 2019.

A.  Srivastava, Kumari, M., Ramanathan, A., Selvaraj, K., Prasad, B., and Prasad, K. Suranjit, ?Removal of fluoride from aqueous solution by mesoporous silica nanoparticles functionalized with chitosan derived from mushroom?, Journal of Macromolecular Science Part A-Pure and Applied Chemistry, vol. 57, no. 9, pp. 619-627, 2020.

Z.  Manappadan, Kumar, S., Joshi, K., Govindaraja, T., Krishnamurty, S., and Selvaraj, K., ?Unravelling the distinct surface interactions of modified graphene nanostructures with methylene blue dye through experimental and computational approaches?, Journal of Hazardous Materials, vol. 388, p. 121755, 2020.

S. Kumari Jhajharia and Selvaraj, K., ?Molecularly engineered graphene oxide anchored metal organic assembly: an active site economic bi-functional electrocatalyst?, FlatChem, vol. 29, p. 100269, 2021.

Z.  Manappadan and Selvaraj, K., ?Electrochemically tuned synergistic nano-interface of a tertiary Ni(OH)(2)-NiO(OH)/NixP heterojunction material for enhanced and durable alkaline water splitting?, ChemistrySelect, vol. 7, no. 30, p. e202201171, 2022.

T. Singh Verma, Samal, P. Paramita, Selvaraj, K., and Krishnamurty, S., ?Can Li atoms anchored on boron- and nitrogen-doped graphene catalyze dinitrogen molecules to ammonia? a DFT study?, ChemPhysChem, vol. 24, no. 12, 2023.

R.  Prasad and Selvaraj, K., ?Effective distribution of gold nanorods in ordered thick mesoporous silica: a choice of noninvasive theranostics?, ACS Applied Materials & Interfaces, vol. 15, no. 40, pp. 47615-47627, 2023.

T. Singh Verma, Dar, A. Hassan, Dar, M. Ahmad, Selvaraj, K., and Krishnamurty, S., ?Computational identification of most potent atom pair catalysts for electrocatalytic nitrogen reduction reaction over hydrogen evolution reaction?, Inter., vol. 58, pp. 1345-1358, 2024.

D. Sebastian Christi and Selvaraj, K., ?Nanocrystalline (NixCo(1-x))3(PO4)2@FeSe2/NF as a promising OER electrocatalyst for alkaline water electrolysis?, International Journal of Hydrogen Energy, vol. 59, pp. 74-81, 2024.

K.  Singh and Selvaraj, K., ?Tensile nanostructured hierarchically porous non-precious transition metal-based electrocatalyst for durable anion exchange membrane-based water electrolysis?, Journal of Colloid and Interface Science, vol. 664, pp. 389-399, 2024.

T. Singh Verma, Selvaraj, K., and Krishnamurty, S., ?Effect of doping on electrocatalytic dehydrogenation and hydrogenation of methyl decalin-methyl naphthalene system?, Journal of Physical Chemistry C, vol. 129, no. 5, pp. 2367-2380, 2025.

S.  Kumar, Verma, T. Singh, and Selvaraj, K., ?Harnessing AEM electrolyzer-level performance through strategically designing the electronic structure of electrocatalysts, enabling dynamic functional switching?, ACS Catalysis, vol. 15, no. 23, pp. 19968-19983, 2025.

K.  Singh, Yadav, H., Samdani, K., and Selvaraj, K., ?Highly active and durable MNS bifunctional electrocatalysts for enhanced anion exchange membrane water electrolysis?, Electrochimica Acta, vol. 542, p. 147408, 2025.

K.  Singh and Selvaraj, K., ?Material selection for enhanced performance in anion exchange membrane water electrolyzers: a study of membranes and gaskets?, Industrial & Engineering Chemistry Research, vol. 64, no. 14, pp. 7211-7219, 2025.

S. Vidya Cherukuthota, Mathew, E., Verma, T. Singh, Joshi, K., and Selvaraj, K., ?Rational design of hydrophobic Cu/CuO electrodes for electrochemical oxygenation of tetralin: a strategic approach?, ChemSusChem, vol. 18, no. 16, 2025.

A.  Velluva, Christi, D. Sebastian, and Selvaraj, K., ?Composite Sn-Fe oxide as a compatible OER electrocatalyst for electrochemical alkaline water electrolysis?, Journal of Physical Chemistry C, vol. 130, no. 20, pp. 7025-7036, 2026.

K.  Singh, Kavitha, T., and Selvaraj, K., ?Integrated cell engineering and scale-up of a non-PGM bifunctional electrocatalyst for durable AEM water electrolysis?, Sustainable Energy & Fuels, vol. 10, no. 10, pp. 2524-2535, 2026.

S.  Kumar and Selvaraj, K., ?Strategic design of strained heterostructure anode for large-area AEM water electrolyzer via a facile etching method?, ACS Applied Energy Materials, vol. 9, no. 7, pp. 4065-4074, 2026.