14 citations · 16 across the 5 of their papers we have counts for
4 papers · 1 filter
Strain engineering of two-dimensional piezo-photocatalytic materials for hydrogen production
Zhao Liu, Biao Wang, Claudio Cazorla
Low-dimensional transition metal dichalcogenides (TMDC) exhibit great photocatalytic performance and tunability. In this work, using first-principles simulations based on density f…
Enhancement of light absorption and oxygen vacancy formation in CeO2 by transition metal doping: A DFT study
Zhao Liua, Hongyang Ma, Charles C. Sorrell +2
It has been demonstrated in previous experimental and computational work that doping CeO2 with transition metals is an effective way of tuning its properties. However, each previou…
Failure of Griffith Theory on Prediction of Theoretical Strength of Ideal Materials
Zhao Liu, Biao Wang
Ever since its publication, the Griffith theory is the most widely used criterion for estimating the ideal strength and fracture strength of materials depending on whether the mate…
Effects of applied mechanical strain on vacancy clustering in FCC Ni
Shasha Huang, Haohua Wen, Qing Guo +2
Irradiation-induced vacancy evolution in face-centered cubic (FCC) Ni under mechanical strains was studied using molecular dynamics simulations. Applied hydrostatic strain led to d…