2026-04-13T02:10:25Zhttps://recercat.cat/oai/request

oai:recercat.cat:2072/4505152024-12-20T16:53:28Zcom_2072_300912com_2072_4427col_2072_301309

Chirality Transfer in Gold Nanoparticles by L‑Cysteine Amino Acid: A First-Principles Study Morales-Vidal, Jordi López, Núria Ortuño, Manuel A. The use of chiral organic ligands during nanoparticle synthesis is key to designing optically active materials for biological and catalytic applications. To understand such complex processes at the atomic level, we performed DFT simulations and built Wulff thermodynamic structures to model the impact of amino acids on gold nanoparticle morphology. Herein, we report the adsorption of l-cysteine at low and high coverage on achiral gold surfaces (111), (110), and (100) as well as chiral gold terminations (321) and (321̅). We found that l-cysteine preferentially binds to Au(321), inducing a chiral templating effect, and the enantiomeric enrichment is favored at low coverage situations. 2021-08-04T08:30:58Z 2024-04-23T10:23:18Z 2021-08-04T08:30:58Z 2024-04-23T10:23:18Z 2021-08-04T08:30:58Z 2024-04-23T10:23:18Z 2019-05-13 info:eu-repo/semantics/article info:eu-repo/semantics/acceptedVersion http://hdl.handle.net/2072/450515 https://doi.org/10.1021/acs.jpcc.9b02918 eng IJCI- 2016-29762 2017-BP-00039 RES-QCM-2018-3- 0005 info:eu-repo/semantics/openAccess L'accés als continguts d'aquest document queda condicionat a l'acceptació de les condicions d'ús establertes per la següent llicència Creative Commons:http://creativecommons.org/licenses/by-nc-nd/4.0/ RECERCAT (Dipòsit de la Recerca de Catalunya)