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Engineering nanoscale H supply chain to accelerate methanol synthesis on ZnZrO_x.

Lee K, Mendes PCD, Jeon H, Song Y, Dickieson MP, Anjum U, Chen L, Yang TC, Yang CM, Choi M, Kozlov SM, Yan N. Lee K, et al. Among authors: mendes pcd. Nat Commun. 2023 Feb 13;14(1):819. doi: 10.1038/s41467-023-36407-1. Nat Commun. 2023. PMID: 36781851 Free PMC article.

Role of the OH-group in the adsorption properties of methanol, ethanol, and ethylene glycol on 15-atom 3d, 4d, and 5d transition-metal clusters.

Bezerra RC , Mendonça JPA , Mendes PCD , Passos RR , Da Silva JLF . Bezerra RC , et al. Among authors: mendes pcd. Phys Chem Chem Phys. 2021 Aug 28;23(32):17553-17566. doi: 10.1039/d1cp01806j. Epub 2021 Aug 9. Phys Chem Chem Phys. 2021. PMID: 34369523

Ab initio screening of Pt-based transition-metal nanoalloys using descriptors derived from the adsorption and activation of CO₂.

Mendes PCD, Verga LG, Da Silva JLF. Mendes PCD, et al. Phys Chem Chem Phys. 2021 Mar 18;23(10):6029-6041. doi: 10.1039/d1cp00570g. Phys Chem Chem Phys. 2021. PMID: 33683269

Ab initio investigation of the role of transition-metal dopants in the adsorption properties of ethylene glycol on doped Pt(100) surfaces.

Bezerra RC , Mendes PCD , Passos RR , Da Silva JLF . Bezerra RC , et al. Among authors: mendes pcd. Phys Chem Chem Phys. 2020 Aug 21;22(31):17646-17658. doi: 10.1039/d0cp01403f. Epub 2020 Jul 29. Phys Chem Chem Phys. 2020. PMID: 32724948

Ab initio investigation of quantum size effects on the adsorption of CO₂, CO, H₂O, and H₂ on transition-metal particles.

Mendes PCD, Ocampo-Restrepo VK, Da Silva JLF. Mendes PCD, et al. Phys Chem Chem Phys. 2020 Apr 29;22(16):8998-9008. doi: 10.1039/d0cp00880j. Phys Chem Chem Phys. 2020. PMID: 32293626

The influence of hydroxy groups on the adsorption of three-carbon alcohols on Ni(111), Pd(111) and Pt(111) surfaces: a density functional theory study within the D3 dispersion correction.

Mendes PCD , Costa-Amaral R , Gomes JF , Da Silva JLF . Mendes PCD , et al. Phys Chem Chem Phys. 2019 Apr 17;21(16):8434-8444. doi: 10.1039/c9cp00752k. Phys Chem Chem Phys. 2019. PMID: 30949640

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