139 citations · 242 across the 3 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2013★ 18 cited
Prediction of (TiO2)x(Cu2O)y Alloys for Photoelectrochemical Water Splitting
Heng-Rui Liu, Ji-Hui Yang, Yue-Yu Zhang +5
The formation of (TiO2)x(Cu2O)y solid-solutions are investigated using a global optimization evolutionary algorithm. First-principles calculations based on density functional theor…
cond-mat.mtrl-sci2012★ 139 cited
Origin of the Superior Conductivity of Perovskite Ba(Sr)SnO3
Heng-Rui Liu, Ji-Hui Yang, H. J. Xiang +2
ASnO3 (A=Ba, Sr) are unique perovskite oxides in that they have superior electron conductivity despite their wide optical band gaps. Using first-principles band structure calculati…
cond-mat.mtrl-sci2012★ 85 cited
First-principles study on the effective masses of zinc-blend-derived Cu_2Zn-IV-VI_4 (IV = Sn, Ge, Si and VI = S, Se)
Heng-Rui Liu, Shiyou Chen, Ying-Teng Zhai +3
The electron and hole effective masses of kesterite (KS) and stannite (ST) structured Cu_2Zn-IV-VI_4 (IV = Sn, Ge, Si and VI = S, Se) semiconductors are systematically studied usin…