M.Alducín/N.Koval/J.I.Juaristi (CFM-MPC) — Studying how plasmons can drive chemical reactions using hpc

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🧪 How can light influence chemical reactions?🧪

In metallic nanoparticles, light can excite collective oscillations of electrons named 'plasmons'. These excitations can enhance or even drive chemical reactions, but the underlying mechanisms are still not fully understood and require highly demanding simulations. 

The team formed by Maite Alducin, Natalia Koval and J. Iñaki Juaristi from the CFM Materials Physics Center has studied this phenomenon using #MareNostrum5 at the Barcelona Supercomputing Center. Results are published at https://lnkd.in/eu5uCjx4

🔎𝐖𝐡𝐚𝐭 𝐝𝐢𝐝 𝐭𝐡𝐞𝐲 𝐟𝐢𝐧𝐝?🔎 

🔹 Realistic simulations are essential to correctly identify reaction mechanisms
🔹 Light must be tuned to the plasmon resonance to trigger the reaction
🔹 The study confirms that plasmons can directly drive chemical reactions under the right conditions

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