Microstructural origin of locally enhanced CO2 electroreduction activity on gold
Understanding how the bulk structure of a material affects catalysis on its surface is critical to
the development of actionable catalyst design principles. Bulk defects have been shown to …
the development of actionable catalyst design principles. Bulk defects have been shown to …
Selective increase in CO2 electroreduction activity at grain-boundary surface terminations
Altering a material's catalytic properties requires identifying structural features that give rise
to active surfaces. Grain boundaries create strained regions in polycrystalline materials by …
to active surfaces. Grain boundaries create strained regions in polycrystalline materials by …
Electroreduction of carbon monoxide to liquid fuel on oxide-derived nanocrystalline copper
The electrochemical conversion of CO2 and H2O into liquid fuel is ideal for high-density
renewable energy storage and could provide an incentive for CO2 capture. However …
renewable energy storage and could provide an incentive for CO2 capture. However …
Formation of lattice-dislocated bismuth nanowires on copper foam for enhanced electrocatalytic CO 2 reduction at low overpotential
Metallic bismuth (Bi) is an electrocatalyst that promotes CO2 reduction to formate. However,
a substantial overpotential is needed to achieve a high formate faradaic efficiency along with …
a substantial overpotential is needed to achieve a high formate faradaic efficiency along with …
Grain-Boundary-Dependent CO2 Electroreduction Activity
Uncovering new structure–activity relationships for metal nanoparticle (NP) electrocatalysts
is crucial for advancing many energy conversion technologies. Grain boundaries (GBs) …
is crucial for advancing many energy conversion technologies. Grain boundaries (GBs) …
A direct grain-boundary-activity correlation for CO electroreduction on Cu nanoparticles
Copper catalyzes the electrochemical reduction of CO to valuable C2+ products including
ethanol, acetate, propanol, and ethylene. These reactions could be very useful for …
ethanol, acetate, propanol, and ethylene. These reactions could be very useful for …
Atomic-scale observation of dynamic grain boundary structural transformation during shear-mediated migration
Grain boundary (GB) structural change is commonly observed during and after stress-driven
GB migration in nanocrystalline materials, but its exact atomic scale transformation has not …
GB migration in nanocrystalline materials, but its exact atomic scale transformation has not …
Tuned Chemical Bonding Ability of Au at Grain Boundaries for Enhanced Electrochemical CO2 Reduction
Electrochemical carbon dioxide (CO2) reduction is an emerging technology for efficiently
recycling CO2 into fuel, and many studies of this reaction are focused on developing …
recycling CO2 into fuel, and many studies of this reaction are focused on developing …
Grain boundary phases in bcc metals
We report a computational discovery of novel grain boundary structures and multiple grain
boundary phases in elemental body-centered cubic (bcc) metals represented by tungsten …
boundary phases in elemental body-centered cubic (bcc) metals represented by tungsten …
Structures and transitions in bcc tungsten grain boundaries and their role in the absorption of point defects
We use atomistic simulations to investigate grain boundary (GB) phase transitions in
elemental body-centered cubic (bcc) metal tungsten. Motivated by recent modeling study of …
elemental body-centered cubic (bcc) metal tungsten. Motivated by recent modeling study of …