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Shay Chaudhuri

Postgraduate Research Student; PhD start date: October 2019

My research involves looking into the theory of electrochemically-driven metal nucleation on diamond electrodes, specifically looking at the diamond (110) surface, by using ab initio simulations based on density functional theory (DFT) and the density-functional tight-binding (DFTB) method to study the initial stages of nanoparticle growth using electrodeposition and the stability of nanoparticles on different sizes on oxygen-terminated diamond.

I am tied with the Diamond Science and Technology CDTLink opens in a new window, with the project being sponsored by the Engineering and Physical Sciences Research Council (EPSRC)


  • J. Westermayr, S. Chaudhuri, A. Jeindl, O. T. Hofmann, R. J. Maurer (2022) 'Long-range dispersion-inclusive machine learning potentials for structure search and optimization of hybrid organic-inorganic interfaces' Digital Discovery 1: 463-475
  • S. Chaudhuri, S. J. Hall, B. P. Klein, M. Walker, A. J. Logsdail, J. V. Macpherson, R. J. Maurer (2022) 'Coexistence of carbonyl and ether groups on oxygen-terminated (110)-oriented diamond surfaces' Communications Materials 3: 6
  • G. F. Wood, I. M. Terrero Rodríguez, J. J. Tully, S. Chaudhuri, J. V. Macpherson (2021) 'Electrochemical Ozone Generation Using Compacted High Pressure High Temperature Synthesized Boron Doped Diamond Microparticle Electrodes' Journal of The Electrochemical Society 168: 126514
  • D.-Q. Liu, M. Kang, D. Perry, C.-H. Chen, G. West, X. Xia, S. Chaudhuri, Z. P. L. Laker, N. R. Wilson, G. N. Meloni, M. M. Melander, R. J. Maurer, P. R. Unwin (2021) 'Adiabatic versus non-adiabatic electron transfer at 2D electrode materials' Nature Communications 12: 7110


  • MSc in Diamond Science and Technology, University of Warwick (2018-19)
  • BSc (Hons) in Mathematics, University of Warwick (2015-18)