147 citations · 423 across the 19 of their papers we have counts for
3 papers · 1 filter
Selective capture of CO2 over N2 and CH4: B clusters and their size effects
Alexandra B. Santos-Putungan, Natasa Stojic, Nadia Binggeli +1
Using density-functional theory (DFT), we investigate the selectivity of adsorption of CO2 over N2 and CH4 on planar-type B clusters, based on our previous finding of strong chemis…
Structural and magnetic response of CrI3 monolayer to electric field
S. Ghosh, N. Stojic, N. Binggeli
A recent theoretical study reported large effects of perpendicular electric fields on the atomic structure of a monolayer CrI3, which could be related to the microscopic origin of…
Strong chemisorption of CO on B-B planar-type clusters
Alexandra B. Santos-Putungan, Nataša Stojić, Nadia Binggeli +1
An ab initio density functional study was performed investigating the adsorption of CO on the neutral boron B () clusters, characterized by planar and quasipla…