A constant-potential neural-network molecular dynamics framework simulates Au-water interfaces at nanosecond scale, revealing that K+ cations promote CO2 activation by enhancing surface charge accumulation.
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A constant potential reactor framework for electrochemical reaction simulations
A constant-potential neural-network molecular dynamics framework simulates Au-water interfaces at nanosecond scale, revealing that K+ cations promote CO2 activation by enhancing surface charge accumulation.