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

Project: Research

Status	Finished
Effective start/end date	1/01/14 → 31/12/16

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

541 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)

Project Details