4 papers
First principles study of chalcogen vacancy effect on the optoelectronic and photocatalytic properties of transition metal dichalcogenides monolayers
Tahir Wahab, Antonio Cammarata, Tomas Polcar
In working conditions, chalcogen vacancies spontaneously occur in two-dimensional transition metal dichalcogenides (TMDCs) monolayers, affecting their optoelectronic and photocatal…
Microscopic contributions to the deviation from Amontons friction law
Suresh Ravisankar, Ravikant Kumar, Antonio Cammarata +2
We investigate the nanoscale friction behaviour of MX2 monolayers (M = Mo, W; X = S, Se) on Au(111) and Ag(111) substrates with a silicon tip using classical molecular dynamics sim…
Ab initio study on photocatalytic properties of PtSSe-WXY Janus heterostructures
Shivprasad S. Shastri, Antonio Cammarata, Tomas Polcar
Semiconductor photocatalysis offers a sustainable route for converting solar energy into chemical energy, enabling the production of clean fuels and valuable chemical products. To…
Optimal boron-doped graphene substrate for glucose Raman signal enhancement
Jan Komeda, Antonio Cammarata, Tomas Polcar
Surface Enhanced Raman Spectroscopy (SERS) is a highly sensitive and selective technique that greatly enhances the signal of an analyte, compared with its signal from classical Ram…