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19962022
most citedDensity-functional study of the structure and stability of ZnO surfaces

635 citations · 2k across the 22 of their papers we have counts for

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Showing 2011 · cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2011★ 61 cited

Ideal, Defective, and Gold--Promoted Rutile TiO2(110) Surfaces: Structures, Energies, Dynamics, and Thermodynamics from PBE+U

Matteo Farnesi Camellone, Piotr M. Kowalski, Dominik Marx

Extensive first principles calculations are carried out to investigate gold-promoted TiO2(110) surfaces in terms of structure optimizations, electronic structure analyses, ab initi…