HomeNanotechnology & MEMSNanoparticle Active-Site Reactivity

Nanoparticle Active-Site Reactivity

Interactive 3D FCC nanoparticle where every surface atom's coordination number sets its own catalytic activation barrier. Tune particle size, temperature and structure-sensitivity to watch corner, edge, terrace and bulk sites turn gas molecules over at different rates.

Nanotechnology & MEMS3DAdvanced60 FPS
nanotech-topic-26 ↗ Open standalone

This simulator builds a real FCC nanoparticle atom by atom and colors every surface atom by its coordination number — how many nearest neighbors it has. Corner and edge atoms are missing bonds compared to the bulk, and that undercoordination lowers the activation barrier for a surface reaction. Gas molecules drift toward the cluster and attempt to react on contact; whether they succeed depends on the local site's barrier, the temperature, and how "structure sensitive" the reaction is set to be. Shrink the particle to watch the fraction of highly-active corner and edge sites climb, or push structure sensitivity to zero to see the reaction turn indifferent to where it happens on the surface.

⚙ Under the hood

Build a real FCC nanoparticle atom by atom and watch corner, edge, terrace and bulk sites react with gas molecules at different rates as their coordination number sets a different activation barrier.

nanoparticlecoordination numbersurface reactivitystructure sensitivitycatalysisactive sitesFCC latticeArrheniusdispersionnanocatalysis

3D · Three.js / WebGL renderer · 60 FPS target · runs fully client-side, no install

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