568 citations · 2.4k across the 16 of their papers we have counts for
16 papers
Spectral Similarity Masks Structural Diversity at Hydrophobic Water Interfaces
Yong Wang, Yifan Li, Linhan Du +5
The air-water and graphene-water interfaces represent quintessential examples of the liquid-gas and liquid-solid boundaries, respectively. While the sum-frequency generation (SFG)…
Electrical double layer and capacitance of TiO2 electrolyte interfaces from first principles simulations
Chunyi Zhang, Marcos Calegari Andrade, Zachary K. Goldsmith +6
The electrical double layer (EDL) at aqueous solution-metal oxide interfaces critically affects many fundamental processes in electrochemistry, geology and biology, yet understandi…
A first-principles machine-learning force field for heterogeneous ice nucleation on microcline feldspar
Pablo M. Piaggi, Annabella Selloni, Athanassios Z. Panagiotopoulos +2
The formation of ice in the atmosphere affects precipitation and cloud properties, and plays a key role in the climate of our planet. Although ice can form directly from liquid wat…
Selective control of localised vs. delocalised carriers in anatase TiO2 through reaction with O2
Chiara Bigi, Zhenkun Tang, Gian Marco Pierantozzi +16
Two-dimensional (2D) metallic states induced by oxygen vacancies at oxide surfaces and interfaces provide new opportunities for the development of advanced applications, but the ab…
Electronic and optical properties of doped TiO2 by many-body perturbation theory
Michael O. Atambo, Daniele Varsano, Andrea Ferretti +4
Doping is one of the most common strategies for improving the photocatalytic and solar energy conversion properties of TiO, hence an accurate theoretical description of the ele…
Reaction of O2 with Subsurface Oxygen Vacancies on TiO2 Anatase (101)
Martin Setvin, Ulrich Aschauer, Philipp Scheiber +5
Oxygen (O2) adsorbed on metal oxides is important in catalytic oxidation reactions, chemical sensing, and photocatalysis. Strong adsorption requires transfer of negative charge fro…