20 citations · 37 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2023★ 20 cited
Multi-code Benchmark on Simulated Ti K-edge X-ray Absorption Spectra of Ti-O Compounds
Fanchen Meng, Benedikt Maurer, Fabian Peschel +7
X-ray absorption spectroscopy (XAS) is an element-specific materials characterization technique that is sensitive to structural and electronic properties. First-principles simulate…
cond-mat.mtrl-sci2017★ 17 cited
Formation and stability of reduced TiO_x layers on anatase TiO_2(101): identification of a novel Ti_2O_3 phase
Xunhua Zhao, Sencer Selcuk, Annabella Selloni
We use density functional theory (DFT) calculations to investigate structural models consisting of anatase TiO2(101) slabs covered by reduced overlayers formed by (101) crystallogr…