Characterization of the physicochemical properties of phosphorene for the adsorption of low molecular weight gases

Since the synthesis of graphene, the scientific community has focused on obtaining new two-dimensional materials, highlighting: hexagonal boron nitride, silicon, germanene, transition metal chalcogenides and more recently phosphorene. the latter is an almost flat two-dimensional sheet obtained by mechanical exfoliation of black phosphorus. phosphorene stands out for having an electronic gap that can be modulated by stacking different numbers of layers, doping the system or changing its geometry. therefore, these new two-dimensional phosphorus allotropes are excellent candidates for the development of optoelectronic devices, solar cells, for energy storage or for the development of catalysts. since phosphorenene and its phases obtained from minerals are newly developed materials, the study and characterization of its physicochemical properties is a prominent and necessary research field for the development of future applications. motivated by the above, in this project we will study the adsorption of low molecular weight gases on phosphorene sheets.

Experimentally and computationally characterize the adsorption of low molecular weight gases on phosphorene

4 articles category a1, the results obtained in the project will be reported in 4 articles a1, where we will highlight the most relevant findings of the project; 1 training courses, s seminar and workshops development of training workshop. "physico-chemical properties of nanostructures using calculations of first principles"; we will make two international papers where we promote the results obtained and the research carried out. training of a master's student, in the computational study of phosphorene; linking two undergraduate students