HomeChemistry & MaterialsPhotocatalytic Water Splitting: Carrier Diffusion-Reaction (2D)

Photocatalytic Water Splitting: Carrier Diffusion-Reaction (2D)

A 2D reaction-diffusion engine for photocatalytic water splitting: electron and hole density fields diffuse, recombine and get captured at the particle surface via a finite-difference PDE solve, with band-edge alignment, recombination and Pt loading controlling the emergent quantum yield.

Chemistry & Materials2DAdvanced60 FPS📱 Mobile-adapted⇄ 3D version
2d-photocatalytic-water-splitting ↗ Open standalone

This 2D companion replaces the 3D version's particle-race animation with the actual physics underneath it: a finite-difference solver advancing the coupled electron and hole reaction-diffusion equations across the photocatalyst particle's cross-section, frame by frame, in real time. Photogeneration switches on only when the photon energy clears the bandgap; the two density fields then diffuse, annihilate wherever they overlap at a rate set by the recombination slider, and lose population at the particle's edge through a surface-capture term that only counts as chemistry when the band-edge alignment thermodynamically allows it. The apparent quantum yield, and the H₂ and O₂ evolution rates, are read directly off the integrated field — not sampled from individual-particle odds — giving an independent, continuum-physics cross-check on why band-edge position (not just bandgap size) decides whether a material can split water at all.

⚙ Under the hood

A 2D reaction-diffusion engine for photocatalytic water splitting: electron and hole density fields diffuse, recombine and get captured at the particle surface via a finite-difference PDE solve every frame, with band-edge alignment, defect recombination and Pt loading controlling the emergent quantum yield.

photocatalysissemiconductorband-gapreaction-diffusionredoxhydrogengreen-chemistry

2D · HTML5 Canvas 2D · 60 FPS target · runs fully client-side, no install

What did you find?

Add reproduction steps (optional)