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Rational design of an unusual 2D-MOF based on Cu(i) and 4-hydroxypyrimidine-5-carbonitrile as linker with conductive capabilities: a theoretical approach based on high-pressure XRD.
García-Valdivia AA, Romero FJ, Cepeda J, Morales DP, Casati N, Mota AJ, Zotti LA, Palacios JJ, Choquesillo-Lazarte D, F Salmerón J, Rivadeneyra A, Rodríguez-Diéguez A. García-Valdivia AA, et al. Among authors: palacios jj. Chem Commun (Camb). 2020 Aug 19;56(66):9473-9476. doi: 10.1039/d0cc03564e. Chem Commun (Camb). 2020. PMID: 32812539
A molecular platinum cluster junction: a single-molecule switch.
Zotti LA, Leary E, Soriano M, Cuevas JC, Palacios JJ. Zotti LA, et al. Among authors: palacios jj. J Am Chem Soc. 2013 Feb 13;135(6):2052-5. doi: 10.1021/ja3100116. Epub 2013 Jan 29. J Am Chem Soc. 2013. PMID: 23330549 Free article.
Constrained DFT for Molecular Junctions.
Zotti LA, Dednam W, Lombardi EB, Palacios JJ. Zotti LA, et al. Among authors: palacios jj. Nanomaterials (Basel). 2022 Apr 6;12(7):1234. doi: 10.3390/nano12071234. Nanomaterials (Basel). 2022. PMID: 35407352 Free PMC article.
Franckeite as a naturally occurring van der Waals heterostructure.
Molina-Mendoza AJ, Giovanelli E, Paz WS, Niño MA, Island JO, Evangeli C, Aballe L, Foerster M, van der Zant HS, Rubio-Bollinger G, Agraït N, Palacios JJ, Pérez EM, Castellanos-Gomez A. Molina-Mendoza AJ, et al. Among authors: palacios jj. Nat Commun. 2017 Feb 13;8:14409. doi: 10.1038/ncomms14409. Nat Commun. 2017. PMID: 28194037 Free PMC article.
Theoretical Approach for Electron Dynamics and Ultrafast Spectroscopy (EDUS).
Cistaro G, Malakhov M, Esteve-Paredes JJ, Uría-Álvarez AJ, Silva REF, Martín F, Palacios JJ, Picón A. Cistaro G, et al. Among authors: palacios jj. J Chem Theory Comput. 2023 Jan 10;19(1):333-348. doi: 10.1021/acs.jctc.2c00674. Epub 2022 Dec 8. J Chem Theory Comput. 2023. PMID: 36480770 Free PMC article.
Exfoliation of Alpha-Germanium: A Covalent Diamond-Like Structure.
Gibaja C, Rodríguez-San-Miguel D, Paz WS, Torres I, Salagre E, Segovia P, Michel EG, Assebban M, Ares P, Hernández-Maldonado D, Ramasse Q, Abellán G, Gómez-Herrero J, Varela M, Palacios JJ, Zamora F. Gibaja C, et al. Among authors: palacios jj. Adv Mater. 2021 Mar;33(10):e2006826. doi: 10.1002/adma.202006826. Epub 2021 Feb 4. Adv Mater. 2021. PMID: 33543546 Free article.
Multi-scale modeling of 2D GaSe FETs with strained channels.
Toral-Lopez A, Santos H, Marin EG, Ruiz FG, Palacios JJ, Godoy A. Toral-Lopez A, et al. Among authors: palacios jj. Nanotechnology. 2021 Dec 13;33(10). doi: 10.1088/1361-6528/ac3ce2. Nanotechnology. 2021. PMID: 34818631
95 results