Výsledky vyhledávání - "L.M. Mejía-Mendoza"

Effect of Molecular Structure of Quinones and Carbon Electrode Surfaces on the Interfacial Electron Transfer Process

Autor: L.M. Mejía-Mendoza, Michael J. Aziz, Roy G. Gordon, Graziela C. Sedenho, Yan Jing, Diana De Porcellinis, Frank N. Crespilho, Álvaro Vázquez-Mayagoitia, Emily Kerr, Alán Aspuru-Guzik

Publikováno v: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP

Quinones can undergo thermodynamically reversible proton-coupled electron transfer reactions and are being applied as electroactive compounds in aqueous organic batteries. However, the electrochemi...

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::72009ea7c7b8240f34a8b1fdc34548d2
https://doi.org/10.1021/acsaem.9b02357

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Nanocarbons as electrode material for energy storage devices: Correlations between theory and experiment

Autor: Alfredo Guillén-López, L.M. Mejía-Mendoza, Jesús Muñiz, Ana Karina Cuentas-Gallegos, Néstor David Espinosa-Torres, Miguel Robles

Nanocarbon materials have attracted attention in the last decade due to their broad range of applications in solid-state devices. Particularly, nanocarbon has intensely been implemented in energy storage systems such as Li-ion batteries and supercapa

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::66fd8e18c8a60ab3f9a729808455436e
https://doi.org/10.1016/b978-0-08-102509-3.00010-9

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Materials Acceleration Platforms: On the way to autonomous experimentation

Autor: Carlos Amador-Bedolla, Benjamin Sanchez-Lengeling, Hermann Tribukait, Alán Aspuru-Guzik, Andrés Aguilar-Granda, Martha M. Flores-Leonar, L.M. Mejía-Mendoza

Publikováno v: Current Opinion in Green and Sustainable Chemistry. 25:100370

Materials Acceleration Platforms are an emerging paradigm to accelerate materials discovery as an effort to develop technology solutions that can help address or mitigate climate change concerns. These platforms combine artificial intelligence, robot

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::a0453475d893bd095dea70af22255bc1
https://doi.org/10.1016/j.cogsc.2020.100370

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First principles study on the electronic structure properties of Keggin polyoxometalates on Carbon substrates for solid-state devices

Autor: Ana Karina Cuentas-Gallegos, Jesús Muñiz, Christian A. Celaya, Miguel Robles, Ana Mejía-Ozuna, Maximiliano Valdéz, L.M. Mejía-Mendoza

Publikováno v: Theoretical Chemistry Accounts. 136

Carbon has shown to give excellent performance in electrodes of energy storage devices, such as Li-ion batteries and supercapacitors. The grafting of polyoxometalates (POM) at carbon has scarcely been explored at the theoretical and experimental leve

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::9d1554826270250d6f7b132c48d3500c
https://doi.org/10.1007/s00214-017-2049-3

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Approaches on the understanding of nanoporous carbon reactivity with polyatomic ions

Autor: Alfredo Guillén-López, Miguel Robles, Jesús Muñiz, Néstor David Espinosa-Torres, Cristina Romero-Rangel, L.M. Mejía-Mendoza

Publikováno v: Applied Surface Science. 495:143392

Correlations among atomic structure, chemical reactivity, charge transfer and electronic structure properties were investigated in nanoporous carbon at different mass densities. The model structures have been generated by a heat-quench procedure usin

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d4e5782df2f35ac21f6acfed7c039489
https://doi.org/10.1016/j.apsusc.2019.07.134

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Computational alternatives to generate amorphous nanoporous structures using ab initio molecular dynamics

Autor: Ariel A. Valladares, C.U. Santiago-Cortés, Renela M. Valladares, L.M. Mejía-Mendoza, Alexander Valladares

Publikováno v: Journal of Non-Crystalline Solids. 358:596-603

We present two approaches to generate amorphous nanoporous structures based on the geometrical handling of crystalline supercells and ab initio molecular dynamics. The first approach has been partially reported previously and consists in expanding a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::92b991086eb8d6d7e44a860830e2472d
https://doi.org/10.1016/j.jnoncrysol.2011.10.021

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New Approaches to the Computer Simulation of Amorphous Alloys: A Review

Autor: Jonathan Galván-Colín, Ariel A. Valladares, Alexander Valladares, L.M. Mejía-Mendoza, Renela M. Valladares, J. A. Reyes-Retana, Dongdong Qu, Fernando Alvarez-Ramírez, Juan A. Díaz-Celaya, Jun Shen

Publikováno v: Materials, Vol 4, Iss 4, Pp 716-781 (2011)
Materials

In this work we review our new methods to computer generate amorphous atomic topologies of several binary alloys: SiH, SiN, CN; binary systems based on group IV elements like SiC; the GeSe2 chalcogenide; aluminum-based systems: AlN and AlSi, and the

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::28316ae1f6cc33bc56d2d2b9347569c2
http://www.mdpi.com/1996-1944/4/4/716/

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Simulating the structure of amorphous Si0.5C0.5 using Lin–Harris molecular dynamics

Autor: L.M. Mejía Mendoza, Ariel A. Valladares, Renela M. Valladares

Publikováno v: Molecular Simulation. 34:989-995

We have amorphised Si0.5C0.5 by ab initio generating random networks with the experimental density of 2.75 g/cm3. Two types of crystalline supercells were used at the start: one was a diamond-like periodic supercell of 64 atoms, containing 32 carbons

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::79e1b4155518fbfc55281fb9e31f374f
https://doi.org/10.1080/08927020802454844

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