Improving the platinum (Pt) mass activity for the oxygen reduction reaction (ORR) requires
optimization of both the specific activity and the electrochemically active surface area (ECSA). …

Experiments have shown that graphene-supported Ni-single atom catalysts (Ni-SACs) provide
a promising strategy for the electrochemical reduction of CO 2 to CO, but the nature of the …

We report here density functional theory (DFT) studies (PBE) of the reaction intermediates
and barriers involved in the oxygen reduction reaction (ORR) on a platinum fuel cell catalyst. …

We report results of quantum mechanics (QM) mechanistic studies of Nafion membrane
degradation in a polymer electrolyte membrane (PEM) fuel cell. Experiments suggest that Nafion …

We report the reaction pathways and barriers for the oxygen reduction reaction (ORR) on
platinum, both for gas phase and in solution, based on quantum mechanics calculations (PBE-…

The valence band structures (VBS) of eight transition metals (Fe, Co, Ni, Cu, Pd, Ag, Pt, Au)
were investigated by photoelectron spectroscopy (PES) using He I, He II, and …

The high cost of proton exchange membrane fuel cells (PEMFCs) comes largely from the use
of platinum-containing electrocatalysts. Despite significant progress made the past decade …

To facilitate a less empirical approach to developing improved catalysts, it is important to
correlate catalytic performance to surrogate properties that can be measured or predicted …

Proton exchange membrane fuel cells (PEMFCs) have attracted much attention as an alternative
source of energy with a number of advantages, including high efficiency, sustainability, …

Using density functional theory (DFT) calculations, we have studied structural models of
graphite fluorides for five fluorine compositions; C 1 F (CF 1 ), C 2 F (CF 0.5 ), C 3 F (CF 0.33 ), C …