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, “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.
, “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.
, “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.
, “Mimicking characteristics of cast iron for enhanced electrocatalytic dehydrogenation of methane”, Fuel, vol. 381, p. 133674, 2025.
, “Rational design of hydrophobic Cu/CuO electrodes for electrochemical oxygenation of tetralin: a strategic approach”, ChemSusChem, vol. 18, no. 16, 2025.
, “Computational identification of most potent atom pair catalysts for electrocatalytic nitrogen reduction reaction over hydrogen evolution reaction”, Inter., vol. 58, pp. 1345-1358, 2024.
, “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.
, “Can Li atoms anchored on boron- and nitrogen-doped graphene catalyze dinitrogen molecules to ammonia? a DFT study”, ChemPhysChem, vol. 24, no. 12, 2023.