114 citations · 434 across the 17 of their papers we have counts for
5 papers · 1 filter
Two-dimensional Kagome-in-Honeycomb materials (MN)C (M=Pt or Mn)
Jingping Dong, Miao Gao, Xun-Wang Yan +2
We propose two novel two-dimensional (2D) topological materials, (PtN)C and (MnN)C, with a special geometry that we named as kagome-in-honeycomb (KIH)…
Ultra-high-density double-atom catalyst with spin moment as activity descriptor for oxygen reduction reaction
Peng Lv, Wenjing Lv, Donghai Wu +4
One of the great challenges facing atomically dispersed catalysts, including single-atom catalyst (SAC) and double-atom catalyst (DAC) is their ultra-low metal loading (typically l…
Electronic structure and optical properties of Graphene Monoxide
Gui Yang, Yufeng Zhang, Xunwang Yan
The electronic and optical properties of graphene monoxide, a new type of semiconductor materials, are first theoretically studied based on density functional theory. Electronic ca…
Electronic and magnetic structures of ternary iron selenides AFeSe (A=K, Cs, or Tl)
Xun-Wang Yan, Miao Gao, Zhong-Yi LU +1
By the first-principles electronic structure calculations, we find that the ground state of ternary iron selenides AFeSe (A=K, Cs, or Tl) is in a bi-collinear antiferromagn…
The layered compound CaClFeP is an Arsenic-free high iron-pnictide
Xun-Wang Yan, Zhong-Yi Lu
We first analyze why the iron pnictides with high superconductivity so far are As-based, by the Hund's rule correlation picture, then examine the P-based and Sb-based cases,…