Extended Date Fig. 1: Optimized adsorption configuration for various 2-NAT and iodide coverages on gold surfaces predicted by DFT. | Nature

Extended Date Fig. 1: Optimized adsorption configuration for various 2-NAT and iodide coverages on gold surfaces predicted by DFT.

From: Patchy nanoparticles by atomic stencilling

Extended Date Fig. 1

Images from DFT calculations of co-adsorbed 2-NAT and iodide on Au(111), Au(100) and Au(110) at various surface coverages (units: ML). Coloured spheres represent atoms: gold (grey), iodine (purple), physisorbed sulfur (yellow), chemisorbed sulfur (orange), carbon (black) and hydrogen (white). The configuration for 1/3 ML–1/2 ML 2-NAT–iodide coverage is shown in Fig. 2a.

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