The oxygen evolution reaction on cobalt atom embedded nitrogen doped graphene electrocatalysts: a density functional theory study.

The oxygen evolution reaction (OER) is essential for the development of renewable energy conversion and storage technologies. Eight N-doped graphenes containing variable numbers of embedded cobalt atoms (Co-NG, = 1-4, = 1-3, where represents the number of embedded Co atoms and represents different configurations) were designed and their OER electrocatalytic activities were systematically studied through density functional theory calculations. The significant roles of the number of Co atoms and their configuration in their OER performance were discussed in detail.

Tuning the water-splitting mechanism on titanium dioxide surfaces through hydroxylation.

Experimental research demonstrates that surface hydroxyl groups can boost TiO's ability to split water but the water splitting mechanism and roles of hydroxyl groups are still not clear. The hydroxyl groups formed by HO or H cracking on pure TiO surfaces are represented by types I (OH1) and II (OH2), respectively. Six types of hydroxylated TiO surfaces of anatase (101), rutile (110), and brookite (210) with OH1 and OH2 hydroxyl groups were constructed.

Atomically Dispersed Ni-N Sites Assist Pt Ni Nanocages with Pt Skin to Synergistically Enhance Oxygen Reduction Activity and Stability.

Currently, the rarity and high cost of platinum (Pt)-based electrocatalysts seriously limit their commercial application in fuel cells cathode. Decorating Pt with atomically dispersed metal-nitrogen sites possibly offers an effective pathway to synergy tailor their catalytic activity and stability. Here active and stable oxygen reduction reaction (ORR) electrocatalysts (Pt Ni@Ni-N -C) by in situ loading Pt Ni nanocages with Pt skin on single-atom nickel-nitrogen (Ni-N ) embedded carbon supports are designed and constructed.