5 papers
Understanding bond formation and its impact on the capacitive properties of SiW12 polyoxometalates adsorbed on functionalized Carbon Nanotubes
Alfredo Guillén-López, Néstor Espinosa-Torres, Ana Karina Cuentas-Gallegos +2
In the last decade, a large number of studies at the experimental level in electrochemical systems for energy storage devices have been performed. However, theoretical approaches a…
New nanostructures of carbon: Quasifullerenes Cn-q (n=20,42,48,60)
Christian A. Celaya, Jesús Muñiz, Luis Enrique Sansores
Based on the third allotropic form of carbon (Fullerenes) through theoretical study have been predicted structures described as non-classical fullerenes. We have studied novel allo…
Theoretical approach to the nanoporous phase diagram of carbon
L. M. Mejía-Mendoza, M. Valdéz-González, Jesus Muñiz +3
Nanoporous carbon has been extensively used in a wide range of applications ranging from water treatment to electrochemical applications, such as in energy storage devices. An effo…
Electronic structure and non-linear optical properties of organic photovoltaic systems with potential applications on solar cell devices: A DFT approach
Alfredo Guillén-López, Miguel Robles, Jesús Muñiz
The use of eco-friendly materials for the environment has been addressed as a critical issue in the development of systems for renewable energy applications. In this regard, the in…
Density Functional study on the transesterification of triacetin assisted by cooperative weak interactions via a gold heterogeneous catalyst: Insights into Biodiesel production mechanisms
Cornelio Delesma, Roger Castillo, P. Y. Sevilla-Camacho +2
A Density Functional study predicting a heterogeneous-catalyzed reaction giving rise to biodiesel, was performed. Triacetin was used as a model of triglyceride in the presence of a…