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.

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.

K. Balaso Ingole, Deshmukh, S. Suresh, Verma, T. Singh, Krishnamurty, S., Krishnamoorthy, K., and Nithyanandhan, J., ?Triazatruxene amine donor-based visible-light-responsive unsymmetrical squaraine dyes for dye-sensitized solar cells?, ACS Applied Energy Materials, vol. 7, no. 18, pp. 7982-7991, 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.