Blue phosphorene nanosheets with point defects: Electronic structure and hydrogen storage capability

Hydrogen storage in Li decorated and defective pentaoctite phosphorene: A density functional theory study

“…Due to their high specific area, several surface dominated applications have been considered to be beneficial including hydrogen storage. A wide variety of monoelemental 2D materials have been thoroughly scrutinized for their application in molecular hydrogen storage, for example, carbon allotropes [3,[8][9][10][11][12], allotropes of phosphorous [13][14][15][16][17][18], allotropes of boron [19][20][21][22][23], silicene and germanene [2,24,25] etc. Apart from monoelemental 2D materials, different dielemental 2D materials have been considered for hydrogen storage, for example, Boron Nitride [26][27][28], Boron sulfide [29], Zinc oxide [30], magnesium hydride [31], Beryllium polynitrides [32], Boron/Carbon nitride [5,33] etc.…”

A molecular dynamic study on the ability of phosphorene for designing new sensor for SARS-CoV-2 detection

“…In comparison to other 2D nanomaterials, it is possible to tune the band gap and properties of phosphorene nanosheet by changing the number of phosphorene layers by defects [33] . Moreover, phosphorene nanosheet has considerable mechanical flexibility, transparency, and high mechanical stability at ambient pressure [34] , [35] , [36] , [37] . Phosphorene nanosheets can be functionalized by various biomolecules [38] , therefore the study of the interactions between RBD and phosphorene nanosheets can provide interesting results for designing sensors for the detection of SARS-CoV-2.…”

Influence of the irradiation of ions of different mass on the formation of surface defects of lithium fluoride thin films

“…The formation of defects on the surface of crystals when exposed to atomic particles has always been of interest to researchers due to the widespread use of these materials in surface engineering, 1–3 optoelectronics, 4–9 photovoltaics 10–13 space materials science, 14,15 and other fields of science and technology 8,16–20 . Today, high‐tech materials, in contrast to bulk materials, have special surface properties with special performance characteristics 21,22 .…”

“…The formation of defects on the surface of crystals when exposed to atomic particles has always been of interest to researchers due to the widespread use of these materials in surface engineering, [1][2][3] optoelectronics, 4-9 photovoltaics [10][11][12][13] space materials science, 14,15 and other fields of science and technology. 8,[16][17][18][19][20] Today, high-tech materials, in contrast to bulk materials, have special surface properties with special performance characteristics. 21,22 Investigation of the processes of modification of the surface properties of materials by bombardment with electrons and ions is one of the most important areas of materials science.…”