| Mu, Y. et al. Chem. Phys. Lett. 2011, 511, 97-100. |
GA + SW potential |
| Mu, Y. et al. Phys. Rev. A 2011, 84, 053201. |
GA + EAM potential |
| Mu, Y. J. Phys. Chem. C 2015, 119, 20911-20916. |
Mean-field theory + Ising-MC |
| Mu, Y.; Ding, F. & Lu, H. RSC Adv. 2015, 5, 11392-11396. |
Dirac Cone + Fermi Velocity |
| Mu, Y. & Li, S.-D. J. Mater. Chem. C 2016, 4, 7339-7344. |
IR + Raman + SSAdNDP |
| Mu, Y. et al. Phys. Chem. Chem. Phys. 2017, 19, 19890-19895. |
Born–Huang criteria + in-plane stiffnesses + Poisson’s ratios |
| Ding, R.; Mu, Y.* et al. Nanoscale 2019, 11, 11217-11226. |
HER |
| Tian, X.; Mu, Y.* et al. Nanoscale 2019, 11, 11099-11106. |
Water-splitting |
| Wang, Y.; Mu, Y.* & Li, S.-D.* J. Mater. Chem. C 2019, 7, 4043-4048. |
Reaction temperature estimation |
| Mu, Y.*; Li, S.-D.* J. Phys. Chem. C 2020, 124, 28145–28151 |
CLS Simulation |
| Qin, X.; Mu, Y.* et al. Phys. Chem. Chem. Phys. 2022, 24, 14566–14572 |
COHP+DDEC |
| Mu, Y.* et al. Nanoscale 2022, 14, 9754–9761 |
Superconductor T_c and \lambda({\omega}) |