33 citations · 63 across the 8 of their papers we have counts for
4 papers · 1 filter
Novel phases in the Fe-Si-O system at terapascal pressures
Nan Huang, Renata M. Wentzcovitch, Zepeng Wu +4
The Fe-Si-O ternary system, central to modeling the interiors of terrestrial planets, remains poorly constrained at Terapascal (TPa) pressures characteristic of super-Earth mantles…
Prediction of Li3Fe8B8 compound with rapid one-dimensional ion diffusion channels
Shiya Chen, Paul Oftedahl, Zhen Zhang +7
Using a computational crystal structure search in the Li-Fe-B ternary system, we predict a stable phase of Li3Fe8B8, featuring 1D channels that enable rapid Li-ion transport. Ab in…
Prediction of ambient pressure superconductivity in cubic ternary hydrides with MH octahedra
Feng Zheng, Zhen Zhang, Shunqing Wu +7
Exploring high-temperature superconducting (high-) material at ambient pressure holds immense significance for physics, chemistry, and materials science. In this study, we per…
High-throughput screening for boride superconductors
Shiya Chen, Zepeng Wu, Zhen Zhang +4
A high-throughput screening using density functional calculations is performed to search for stable boride superconductors from the existing materials database. The workflow employ…