B. R.  Shivankar, Singh, C. Pratap, and Krishnamurty, S., ?Chemically modified graphene sheets as potential sensors for organophosphate compounds(pesticide): A DFT study?, Applied Surface Science, vol. 619, p. 156745, 2023.

S.  Saharan, Ghanekar, U., Shivankar, B. R., and Meena, S., ?High-capacity V2N MXene for multivalent ion batteries: an Ab initio study?, Journal of Physical Chemistry C, vol. 128, no. 31, pp. 12840-12848, 2024.

B. R.  Shivankar, Bhandare, V. Vishnu, Joshi, K., S., P. Vishal, Dhotare, P. Shrikant, Sonawane, K. Dasharath, and Krishnamurty, S., ?Investigation of cathinone analogs targeting human dopamine transporter using molecular modeling?, Journal of Biomolecular Structure & Dynamics, 2024.

H. J.  Bharathkumar, Shivankar, B. R., Krishnamurty, S., Chen, D., Caruso, R. A., and Krishnamoorthy, K., ?Polyvalent interaction and confinement to suppress polysulfide dissolution and improve electrocatalysis?, CATALYSIS SCIENCE & TECHNOLOGY, vol. 14, no. 12, pp. 3416-3423, 2024.

R.  Jain, Shivankar, B. R., Krishnamurty, S., Al-Khateeb, L. A., Sheetal, S., and Alharthi, S., ?Clove essential oil-supported disposable in-tip cellulose paper (DICP) device for facile extraction of anesthetic drugs from postmortem samples: a white analytical toxicology (WAT) approach?, Sustainable Chemistry and Pharmacy, vol. 45, p. 102010, 2025.

A. P.  Jadhav, Singh, A. Kumar, Shivankar, B. R., Siby, J., Krishnamurty, S., Krishnamoorthy, K., and Nithyanandhan, J., ?Effect of cyclization and alkyl group wrapping in visible-light-active unsymmetrical squaraine dyes for dye-sensitized solar cells?, ACS Applied Energy Materials, vol. 8, no. 8, pp. 5017-5030, 2025.

M. U.  Singh, Jadhav, S. D., Shivankar, B. R., Pandikassala, A., Kumar, Y., Krishnamurty, S., Vinod, C. P., and Kurungot, S., ?Hot injection assisted electronically modulated twin and grain boundary rich sub-2 nm pt3co alloy resistant to phosphate ion for PEMFCs?, Small, vol. 21, no. 20, 2025.

B. R.  Shivankar, Verma, T. Singh, and Krishnamurty, S., ?In silico designing of electrocatalysts for hydrogen evolution reaction: a focus on titanium metal-based diboride monolayers?, International Journal of Hydrogen Energy, vol. 133, pp. 91-100, 2025.