Displaying 251 - 267 of 267
Van der Waals effect in weak adsorption affecting trends in adsorption, reactivity, and the view of substrate nobility. . Physical Review B, 83, 113401. 2011.
Universal Brønsted-Evans-Polanyi Relations for C–C, C–O, C–N, N–O, N–N, and O–O Dissociation Reactions. . Catalysis Letters, 141, 370-373. 2011.
Descriptor-Based Analysis Applied to HCN Synthesis from NH3 and CH4. . Angewandte Chemie Int. Ed., 50, 4601-4605. 2011.
The Pt(111)/Electrolyte Interface under Oxygen Reduction Reaction Conditions: An Electrochemical Impedance Spectroscopy Study. . Langmuir, 27, 2058-2066. 2011.
Density functional theory in surface chemistry and catalysis. . Proceedings of the National Academy of Sciences, 108, 937-943. 2011.
Trends in Metal Oxide Stability for Nanorods, Nanotubes, and Surfaces. . The Journal of Physical Chemistry C, 115, 2244-2252. 2011.
The oxygen reduction reaction mechanism on Pt(111) from density functional theory calculations. . Electrochimica Acta, 55, 7975-7981. 2010.
Modeling the Electrochemical Hydrogen Oxidation and Evolution Reactions on the Basis of Density Functional Theory Calculations. . The Journal of Physical Chemistry C, 114, 18182-18197. 2010.
CO oxidation on PdO surfaces. . The Journal of Chemical Physics, 133, 084704. 2010.
Lithium-Air Battery: Promise and Challenges. . The Journal of Physical Chemistry Letters, 1, 2193-2203. 2010.
How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels. . Energy & Environmental Science, 3, 1311-1315. 2010.
Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method. . Journal of Physics: Condensed Matter, 22, 253202. 2010.
Understanding Trends in Catalytic Activity: The Effect of Adsorbate-Adsorbate Interactions for CO Oxidation Over Transition Metals. . Topics in Catalysis, 53, 298-310. 2010.
Enzymatic versus Inorganic Oxygen Reduction Catalysts: Comparison of the Energy Levels in a Free-Energy Scheme. . Inorganic Chemistry, 49, 3567-3572. 2010.
Communications: Elementary oxygen electrode reactions in the aprotic Li-air battery. . The Journal of Chemical Physics, 132, 071101. 2010.
Ammonia dynamics in magnesium ammine from DFT and neutron scattering. . Energy & Environmental Science, 3, 448-456. 2010.
Green Gold Catalysis. . Science, 327, 278-279. 2010.