Debabrata Chattaraj

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Publications (5)

• Adsorption and dehydrogenation of ammonia on Ru55, Cu55and Ru@Cu54nanoclusters: role of single atom alloy catalyst
  Physical Chemistry Chemical Physics 2024 DOI: 10.1039/D3CP04830F
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• CO2 hydrogenation to formic acid on Pd–Cu nanoclusters: a DFT study
  Physical Chemistry Chemical Physics 2023 DOI: 10.1039/D2CP03805F
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• Structural, electronic, elastic, vibrational and thermodynamic properties of U3Si2: A comprehensive study using DFT
  Journal of Alloys and Compounds 2018 DOI: 10.1016/j.jallcom.2017.10.174
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• Structural, electronic, elastic and thermodynamic properties of Li 2 ZrO 3 : A comprehensive study using DFT formalism
  Journal of Nuclear Materials 2017 DOI: 10.1016/j.jnucmat.2017.09.040
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• Structural, electronic, elastic, vibrational and thermodynamic properties of ZrNi and ZrNiH 3 : A comprehensive study through first principles approach
  International Journal of Hydrogen Energy 2016 DOI: 10.1016/j.ijhydene.2016.09.046
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