Understanding dissipation, thermal conduction and diffusion in superionic conductors using ab initio nonequillibrium molecular dynamics simulation

Research output

Research output per year 2016 2018 2019 2019

• 7 Article

Research output per year

Research output per year

Search results

• 2019

  Conversion of dinitrogen to ammonia on Ru atoms supported on boron sheets: A DFT study

  Liu, C., Li, Q., Zhang, J., Jin, Y., MacFarlane, D. R. & Sun, C., 1 Jan 2019, In: Journal of Materials Chemistry A. 7, 9, p. 4771-4776 6 p.

  Research output: Contribution to journal › Article › Research › peer-review
  266 Citations (Scopus)

• Single-Boron Catalysts for Nitrogen Reduction Reaction

  Liu, C., Li, Q., Wu, C., Zhang, J., Jin, Y., Macfarlane, D. R. & Sun, C., 1 Jan 2019, In: Journal of the American Chemical Society. 141, 7, p. 2884-2888 5 p.

  Research output: Contribution to journal › Article › Research › peer-review
  546 Citations (Scopus)

• Ultrathin Α-Mo ₂ C dominated by (100) Surface/Cu Schottky junction as efficient catalyst for hydrogen evolution

  Yin, Y., Xu, C., Liu, Z., Ren, W. & Sun, C., 8 Jan 2019, In: International Journal of Hydrogen Energy. 44, 2, p. 853-859 7 p.

  Research output: Contribution to journal › Article › Research › peer-review
  19 Citations (Scopus)
• 2018

  Theoretical Evaluation of Possible 2D Boron Monolayer in N ₂ Electrochemical Conversion into Ammonia

  Liu, C., Li, Q., Zhang, J., Jin, Y., Macfarlane, D. R. & Sun, C., 8 Nov 2018, In: Journal of Physical Chemistry C. 122, 44, p. 25268-25273 6 p.

  Research output: Contribution to journal › Article › Research › peer-review
  107 Citations (Scopus)

• Two-dimensional boron sheets as metal-free catalysts for hydrogen evolution reaction

  Liu, C., Dai, Z., Zhang, J., Jin, Y., Li, D. & Sun, C., 23 Aug 2018, In: Journal of Physical Chemistry C. 122, 33, p. 19051-19055 5 p.

  Research output: Contribution to journal › Article › Research › peer-review
  85 Citations (Scopus)
• 2017

  Computational Study of MoN₂ Monolayer as Electrochemical Catalysts for Nitrogen Reduction

  Li, Q., He, L., Sun, C. & Zhang, X., 14 Dec 2017, In: Journal of Physical Chemistry C. 121, 49, p. 27563-27568 6 p.

  Research output: Contribution to journal › Article › Research › peer-review
  174 Citations (Scopus)
• 2016

  Proposing the prospects of Ti₃CN transition metal carbides (MXenes) as anodes of Li-ion batteries: a DFT study

  Chen, X., Kong, Z., Li, N., Zhao, X. & Sun, C., 2016, In: Physical Chemistry Chemical Physics. 18, 48, p. 32937-32943 7 p.

  Research output: Contribution to journal › Article › Research › peer-review
  123 Citations (Scopus)