Kumar, NirmalNirmalKumarNellaiappan, SubramanianSubramanianNellaiappanKumar, RiteshRiteshKumarMalviya, Kirtiman DeoKirtiman DeoMalviyaPradeep, K. G.K. G.PradeepSingh, Abhishek K.Abhishek K.SinghSharma, SudhanshuSudhanshuSharmaTiwary, Chandra SekharChandra SekharTiwaryBiswas, KrishanuKrishanuBiswas2025-08-282025-08-282019-09-012573-229310.26434/chemrxiv.9777257http://repository.iitgn.ac.in/handle/IITG2025/19669Renewable harvesting clean and hydrogen energy using the benefits of novel multicatalytic materials of high entropy alloy (HEA equimolar Cu-Ag-Au-Pt-Pd) from formic acid with minimum energy input has been achieved in the present investigation. The synthesis effect of pristine elements in the HEA drives the electro-oxidation reaction towards non-carbonaceous pathway . The atomistic simulation based on DFT rationalize the distinct lowering of the d-band center for the individual atoms in the HEA as compared to the pristine counterparts. This catalytic activity of the HEA has also been extended to methanol electro-oxidation to show the unique capability of the novel catalyst. The nanostructured HEA, properties using a combination of casting and cry omilling techniques can further be utilized as fuel cell anode in direct formic acid/methanol fuel cells (DFFE).en-USCatalysis chemistryHigh entropy alloyDFT simulation resultse-Printhttps://doi.org/10.26434/chemrxiv.9777257e-Print0123456789/375