Simulation of Site-Selective Etching by Invoking Effects of Ligands and Reactant Diffusion

We explore the origin of inequivalent etching on equivalent crystal sites by developing a kinetic Monte Carlo model. This new model focuses on the effects of both the diffusion of reactants and ligands, factors that are ubiquitous in wet-chemistry experiments and yet often overlooked or oversimplifi...

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Номзүйн дэлгэрэнгүй
Үндсэн зохиолч:	Guangyu He (1630546) (author)
Бусад зохиолчид:	An Su (5575574) (author), Qian Wang (32718) (author), Shi Liu (14680) (author), Hongyu Chen (105612) (author)
Хэвлэсэн:	2025
Нөхцлүүд:	Biophysics Medicine Biotechnology Computational Biology Biological Sciences not elsewhere classified Information Systems not elsewhere classified yet often overlooked newly exposed atoms new model focuses dramatic differences arising au triangular nanoplates abnormal crystal morphologies previous experimental results equivalent crystal sites equilibrium ligand control focused etching mode two crucial factors simulation model could rapid reactant redistribution large diffusion rates cause selective etching ligand effects provide ligand effects coincide selective etching results show reactant diffusion rapid equilibration deficient sites ligand adsorption inequivalent etching etching targets etching products invoking effects silico </ positive feedback negative feedback fully consistent dynamic competitions conventional simulations clearly manifested chemistry experiments appropriately setting
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Simulation of Site-Selective Etching by Invoking Effects of Ligands and Reactant Diffusion

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