Project Details


The carbon-based nanostructures have aroused great interest in the scientific community, due to its great versatility since its physicochemical properties can be changed only by modifying its geometry. from the wide range of allotropic forms of carbon, graphene stands out as a flat structure, the thickness of an atom, very resistant, highly flexible and with excellent thermal and electrical conduction properties. for this reason, the theoretical study of flat nanostructures based on graphene is of great interest, since it is necessary to know their electronic properties in order to manipulate them and take advantage of them in the manufacture of opto-electronic devices. of all the nanostructures based on graphene, van der waals structures,formed by the non-covalent interaction between multiple layers of graphene or the interaction between flat layers of different materials, has aroused great interest in the scientific community, since these interactions change the physical properties of nanostructures, creating new properties or combining different behaviors which opens a range of new applications


Identify the different pseudo-commensurable cells for flat structures based on graphene, from these cells the electronic structure of each nanostructure is calculated, the linear optical response and the different stm images associated to each system are simulated. ? specific ? characterize the commensurability and pseudo-commensurability of crystal layers from the invariant theory of forms, mathematics and statistics. ? explore new mathematical techniques and statistical classification of experimental curves or simulated by classical methods of first principles. f-inc-35 4/22 ? determine the electronic structure of each of the pseudo-commensurate cells. ? calculate the linear optical response for different heterostructures formed by boron nitrides and graphene.? simulate the stm images for different flat heterostructures.

Expected results

To fulfill the objectives, the following methodological strategy is proposed: 1. to carry out a search and review of the bibliography on all possible vdw flat nanostructures, to identify their possible applications and the feasibility of manufacturing. 2. with this information, we will proceed to choose a set of structures, to determine their pseudo-commensurate cells. 3. with the pseudo-commensurate cells, we will calculate the electronic properties of each cell. 4. from the electronic structure we will calculate the linear optical response of the system. 5. we will simulate the stm images, for each nanostructure and determine if the moiré patterns that are obtained depend only on the geometry or also depend on the redistribution of charge caused by the interaction between the plates. 6. finally,the respective reports and scientific articles to which the investigations give rise will be written. expected results: pseudo-commensurable cells, for different flat nanostructures. -electronic structure of the different selected cells. -simulation of different stm images, to identify the moiré patterns. -calculation of the optical properties of the different nanostructures studied.
Effective start/end date2/02/1530/07/18

UN Sustainable Development Goals

In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This project contributes towards the following SDG(s):

  • SDG 7 - Affordable and Clean Energy


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