Concepedia

Adatom surface diffusion of catalytic metals on the anatase TiO<sub>2</sub>(101) surface

Afnan Alghannam, Christopher L. Muhich, Charles B. Musgrave

Physical Chemistry Chemical Physics · 2017 · 34 citations · 69 references

DOI

Concepts

Abstract

Catalytically active metals diffuse facially, and directionally, across the TiO<sub>2</sub>surface, relative behaviors are linearly correlated to adatom binding and electronegativity.

References

69

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

, , +16

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 120.5K citations

, , +15

Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations

, , +17

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 74.7K citations

, , +14

Electrochemical Photolysis of Water at a Semiconductor Electrode

Akira Fujishima, Kenichi Honda · Nature · 1972 · 33.7K citations

, , +14